python2-ase-3.17.0-1.1.noarch.rpm


Advertisement

Description

python2-ase - Tools and Python modules for working with atomistic simulations

Property Value
Distribution openSUSE Tumbleweed
Repository Science all
Package name python2-ase
Package version 3.17.0
Package release 1.1
Package architecture noarch
Package type rpm
Installed size 11.25 MB
Download size 2.44 MB
Official Mirror widehat.opensuse.org
ASE  is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.
Webpage: http://wiki.fysik.dtu.dk/ase

Alternatives

Package Version Architecture Repository
python2-ase - - -

Requires

Name Value
/usr/bin/python2.7 -
python(abi) = 2.7
python2 scipy
python2 tk
python2 Flask
python2 matplotlib
python2 numpy
update alternatives

Provides

Name Value
python-ase = 3.17.0-1.1
python2-ase = 3.17.0-1.1

Obsoletes

Name Value
python-ase < 3.17.0-1.1

Download

Type URL
Binary Package python2-ase-3.17.0-1.1.noarch.rpm
Source Package python-ase-3.17.0-1.1.src.rpm

Install Howto

  1. Add the Science repository:
    # zypper addrepo http://widehat.opensuse.org/opensuse/repositories/science/openSUSE_Tumbleweed/ science
  2. Install python2-ase rpm package:
    # zypper install python2-ase

Files

Path
/etc/alternatives/ase
/usr/bin/ase
/usr/bin/ase-2.7
/usr/lib/python2.7/site-packages/ase/__init__.py
/usr/lib/python2.7/site-packages/ase/__init__.pyc
/usr/lib/python2.7/site-packages/ase/__main__.py
/usr/lib/python2.7/site-packages/ase/__main__.pyc
/usr/lib/python2.7/site-packages/ase/atom.py
/usr/lib/python2.7/site-packages/ase/atom.pyc
/usr/lib/python2.7/site-packages/ase/atoms.py
/usr/lib/python2.7/site-packages/ase/atoms.pyc
/usr/lib/python2.7/site-packages/ase/autoneb.py
/usr/lib/python2.7/site-packages/ase/autoneb.pyc
/usr/lib/python2.7/site-packages/ase/constraints.py
/usr/lib/python2.7/site-packages/ase/constraints.pyc
/usr/lib/python2.7/site-packages/ase/dimer.py
/usr/lib/python2.7/site-packages/ase/dimer.pyc
/usr/lib/python2.7/site-packages/ase/eos.py
/usr/lib/python2.7/site-packages/ase/eos.pyc
/usr/lib/python2.7/site-packages/ase/infrared.py
/usr/lib/python2.7/site-packages/ase/infrared.pyc
/usr/lib/python2.7/site-packages/ase/neb.py
/usr/lib/python2.7/site-packages/ase/neb.pyc
/usr/lib/python2.7/site-packages/ase/neighborlist.py
/usr/lib/python2.7/site-packages/ase/neighborlist.pyc
/usr/lib/python2.7/site-packages/ase/nomad.py
/usr/lib/python2.7/site-packages/ase/nomad.pyc
/usr/lib/python2.7/site-packages/ase/parallel.py
/usr/lib/python2.7/site-packages/ase/parallel.pyc
/usr/lib/python2.7/site-packages/ase/phasediagram.py
/usr/lib/python2.7/site-packages/ase/phasediagram.pyc
/usr/lib/python2.7/site-packages/ase/phonons.py
/usr/lib/python2.7/site-packages/ase/phonons.pyc
/usr/lib/python2.7/site-packages/ase/quaternions.py
/usr/lib/python2.7/site-packages/ase/quaternions.pyc
/usr/lib/python2.7/site-packages/ase/run.py
/usr/lib/python2.7/site-packages/ase/run.pyc
/usr/lib/python2.7/site-packages/ase/structure.py
/usr/lib/python2.7/site-packages/ase/structure.pyc
/usr/lib/python2.7/site-packages/ase/symbols.py
/usr/lib/python2.7/site-packages/ase/symbols.pyc
/usr/lib/python2.7/site-packages/ase/thermochemistry.py
/usr/lib/python2.7/site-packages/ase/thermochemistry.pyc
/usr/lib/python2.7/site-packages/ase/units.py
/usr/lib/python2.7/site-packages/ase/units.pyc
/usr/lib/python2.7/site-packages/ase-3.17.0-py2.7.egg-info/PKG-INFO
/usr/lib/python2.7/site-packages/ase-3.17.0-py2.7.egg-info/SOURCES.txt
/usr/lib/python2.7/site-packages/ase-3.17.0-py2.7.egg-info/dependency_links.txt
/usr/lib/python2.7/site-packages/ase-3.17.0-py2.7.egg-info/entry_points.txt
/usr/lib/python2.7/site-packages/ase-3.17.0-py2.7.egg-info/requires.txt
/usr/lib/python2.7/site-packages/ase-3.17.0-py2.7.egg-info/top_level.txt
/usr/lib/python2.7/site-packages/ase/build/__init__.py
/usr/lib/python2.7/site-packages/ase/build/__init__.pyc
/usr/lib/python2.7/site-packages/ase/build/__main__.py
/usr/lib/python2.7/site-packages/ase/build/__main__.pyc
/usr/lib/python2.7/site-packages/ase/build/adsorb.py
/usr/lib/python2.7/site-packages/ase/build/adsorb.pyc
/usr/lib/python2.7/site-packages/ase/build/bulk.py
/usr/lib/python2.7/site-packages/ase/build/bulk.pyc
/usr/lib/python2.7/site-packages/ase/build/general_surface.py
/usr/lib/python2.7/site-packages/ase/build/general_surface.pyc
/usr/lib/python2.7/site-packages/ase/build/molecule.py
/usr/lib/python2.7/site-packages/ase/build/molecule.pyc
/usr/lib/python2.7/site-packages/ase/build/ribbon.py
/usr/lib/python2.7/site-packages/ase/build/ribbon.pyc
/usr/lib/python2.7/site-packages/ase/build/root.py
/usr/lib/python2.7/site-packages/ase/build/root.pyc
/usr/lib/python2.7/site-packages/ase/build/rotate.py
/usr/lib/python2.7/site-packages/ase/build/rotate.pyc
/usr/lib/python2.7/site-packages/ase/build/supercells.py
/usr/lib/python2.7/site-packages/ase/build/supercells.pyc
/usr/lib/python2.7/site-packages/ase/build/surface.py
/usr/lib/python2.7/site-packages/ase/build/surface.pyc
/usr/lib/python2.7/site-packages/ase/build/tools.py
/usr/lib/python2.7/site-packages/ase/build/tools.pyc
/usr/lib/python2.7/site-packages/ase/build/tube.py
/usr/lib/python2.7/site-packages/ase/build/tube.pyc
/usr/lib/python2.7/site-packages/ase/build/voids.py
/usr/lib/python2.7/site-packages/ase/build/voids.pyc
/usr/lib/python2.7/site-packages/ase/calculators/__init__.py
/usr/lib/python2.7/site-packages/ase/calculators/__init__.pyc
/usr/lib/python2.7/site-packages/ase/calculators/abinit.py
/usr/lib/python2.7/site-packages/ase/calculators/abinit.pyc
/usr/lib/python2.7/site-packages/ase/calculators/aims.py
/usr/lib/python2.7/site-packages/ase/calculators/aims.pyc
/usr/lib/python2.7/site-packages/ase/calculators/amber.py
/usr/lib/python2.7/site-packages/ase/calculators/amber.pyc
/usr/lib/python2.7/site-packages/ase/calculators/ase_qmmm_manyqm.py
/usr/lib/python2.7/site-packages/ase/calculators/ase_qmmm_manyqm.pyc
/usr/lib/python2.7/site-packages/ase/calculators/calculator.py
/usr/lib/python2.7/site-packages/ase/calculators/calculator.pyc
/usr/lib/python2.7/site-packages/ase/calculators/castep.py
/usr/lib/python2.7/site-packages/ase/calculators/castep.pyc
/usr/lib/python2.7/site-packages/ase/calculators/checkpoint.py
/usr/lib/python2.7/site-packages/ase/calculators/checkpoint.pyc
/usr/lib/python2.7/site-packages/ase/calculators/cp2k.py
/usr/lib/python2.7/site-packages/ase/calculators/cp2k.pyc
/usr/lib/python2.7/site-packages/ase/calculators/crystal.py
/usr/lib/python2.7/site-packages/ase/calculators/crystal.pyc
/usr/lib/python2.7/site-packages/ase/calculators/dacapo.py
/usr/lib/python2.7/site-packages/ase/calculators/dacapo.pyc
/usr/lib/python2.7/site-packages/ase/calculators/dftb.py
/usr/lib/python2.7/site-packages/ase/calculators/dftb.pyc
/usr/lib/python2.7/site-packages/ase/calculators/dftd3.py
/usr/lib/python2.7/site-packages/ase/calculators/dftd3.pyc
/usr/lib/python2.7/site-packages/ase/calculators/dmol.py
/usr/lib/python2.7/site-packages/ase/calculators/dmol.pyc
/usr/lib/python2.7/site-packages/ase/calculators/eam.py
/usr/lib/python2.7/site-packages/ase/calculators/eam.pyc
/usr/lib/python2.7/site-packages/ase/calculators/elk.py
/usr/lib/python2.7/site-packages/ase/calculators/elk.pyc
/usr/lib/python2.7/site-packages/ase/calculators/emt.py
/usr/lib/python2.7/site-packages/ase/calculators/emt.pyc
/usr/lib/python2.7/site-packages/ase/calculators/espresso.py
/usr/lib/python2.7/site-packages/ase/calculators/espresso.pyc
/usr/lib/python2.7/site-packages/ase/calculators/exciting.py
/usr/lib/python2.7/site-packages/ase/calculators/exciting.pyc
/usr/lib/python2.7/site-packages/ase/calculators/ff.py
/usr/lib/python2.7/site-packages/ase/calculators/ff.pyc
/usr/lib/python2.7/site-packages/ase/calculators/fleur.py
/usr/lib/python2.7/site-packages/ase/calculators/fleur.pyc
/usr/lib/python2.7/site-packages/ase/calculators/gaussian.py
/usr/lib/python2.7/site-packages/ase/calculators/gaussian.pyc
/usr/lib/python2.7/site-packages/ase/calculators/general.py
/usr/lib/python2.7/site-packages/ase/calculators/general.pyc
/usr/lib/python2.7/site-packages/ase/calculators/gromacs.py
/usr/lib/python2.7/site-packages/ase/calculators/gromacs.pyc
/usr/lib/python2.7/site-packages/ase/calculators/gulp.py
/usr/lib/python2.7/site-packages/ase/calculators/gulp.pyc
/usr/lib/python2.7/site-packages/ase/calculators/interface.py
/usr/lib/python2.7/site-packages/ase/calculators/interface.pyc
/usr/lib/python2.7/site-packages/ase/calculators/interfacechecker.py
/usr/lib/python2.7/site-packages/ase/calculators/interfacechecker.pyc
/usr/lib/python2.7/site-packages/ase/calculators/lammpslib.py
/usr/lib/python2.7/site-packages/ase/calculators/lammpslib.pyc
/usr/lib/python2.7/site-packages/ase/calculators/lammpsrun.py
/usr/lib/python2.7/site-packages/ase/calculators/lammpsrun.pyc
/usr/lib/python2.7/site-packages/ase/calculators/lj.py
/usr/lib/python2.7/site-packages/ase/calculators/lj.pyc
/usr/lib/python2.7/site-packages/ase/calculators/loggingcalc.py
/usr/lib/python2.7/site-packages/ase/calculators/loggingcalc.pyc
/usr/lib/python2.7/site-packages/ase/calculators/mopac.py
/usr/lib/python2.7/site-packages/ase/calculators/mopac.pyc
/usr/lib/python2.7/site-packages/ase/calculators/morse.py
/usr/lib/python2.7/site-packages/ase/calculators/morse.pyc
/usr/lib/python2.7/site-packages/ase/calculators/neighborlist.py
/usr/lib/python2.7/site-packages/ase/calculators/neighborlist.pyc
/usr/lib/python2.7/site-packages/ase/calculators/nwchem.py
/usr/lib/python2.7/site-packages/ase/calculators/nwchem.pyc
/usr/lib/python2.7/site-packages/ase/calculators/octopus.py
/usr/lib/python2.7/site-packages/ase/calculators/octopus.pyc
/usr/lib/python2.7/site-packages/ase/calculators/onetep.py
/usr/lib/python2.7/site-packages/ase/calculators/onetep.pyc
/usr/lib/python2.7/site-packages/ase/calculators/qmmm.py
/usr/lib/python2.7/site-packages/ase/calculators/qmmm.pyc
/usr/lib/python2.7/site-packages/ase/calculators/singlepoint.py
/usr/lib/python2.7/site-packages/ase/calculators/singlepoint.pyc
/usr/lib/python2.7/site-packages/ase/calculators/socketio.py
/usr/lib/python2.7/site-packages/ase/calculators/socketio.pyc
/usr/lib/python2.7/site-packages/ase/calculators/test.py
/usr/lib/python2.7/site-packages/ase/calculators/test.pyc
/usr/lib/python2.7/site-packages/ase/calculators/tip3p.py
/usr/lib/python2.7/site-packages/ase/calculators/tip3p.pyc
/usr/lib/python2.7/site-packages/ase/calculators/tip4p.py
/usr/lib/python2.7/site-packages/ase/calculators/tip4p.pyc
/usr/lib/python2.7/site-packages/ase/calculators/turbomole.py
/usr/lib/python2.7/site-packages/ase/calculators/turbomole.pyc
/usr/lib/python2.7/site-packages/ase/calculators/vdwcorrection.py
/usr/lib/python2.7/site-packages/ase/calculators/vdwcorrection.pyc
/usr/lib/python2.7/site-packages/ase/calculators/demon/__init__.py
/usr/lib/python2.7/site-packages/ase/calculators/demon/__init__.pyc
/usr/lib/python2.7/site-packages/ase/calculators/demon/demon.py
/usr/lib/python2.7/site-packages/ase/calculators/demon/demon.pyc
/usr/lib/python2.7/site-packages/ase/calculators/demon/demon_io.py
/usr/lib/python2.7/site-packages/ase/calculators/demon/demon_io.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/__init__.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/__init__.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/changed.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/changed.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/jacapo.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/jacapo.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/lda_psp.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/lda_psp.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/mayavis.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/mayavis.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/pbe_psp.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/pbe_psp.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/pw91_psp.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/pw91_psp.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/setup.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/setup.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/validate.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/validate.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/version.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/version.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/__init__.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/__init__.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/bader.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/bader.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/bandstructure.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/bandstructure.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/bee.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/bee.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/findsym.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/findsym.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/jmath.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/jmath.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/sgroup.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/sgroup.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/symmol.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/symmol.pyc
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/wannier.py
/usr/lib/python2.7/site-packages/ase/calculators/jacapo/utils/wannier.pyc
/usr/lib/python2.7/site-packages/ase/calculators/openmx/__init__.py
/usr/lib/python2.7/site-packages/ase/calculators/openmx/__init__.pyc
/usr/lib/python2.7/site-packages/ase/calculators/openmx/default_settings.py
/usr/lib/python2.7/site-packages/ase/calculators/openmx/default_settings.pyc
/usr/lib/python2.7/site-packages/ase/calculators/openmx/dos.py
/usr/lib/python2.7/site-packages/ase/calculators/openmx/dos.pyc
/usr/lib/python2.7/site-packages/ase/calculators/openmx/openmx.py
/usr/lib/python2.7/site-packages/ase/calculators/openmx/openmx.pyc
/usr/lib/python2.7/site-packages/ase/calculators/openmx/parameters.py
/usr/lib/python2.7/site-packages/ase/calculators/openmx/parameters.pyc
/usr/lib/python2.7/site-packages/ase/calculators/openmx/reader.py
/usr/lib/python2.7/site-packages/ase/calculators/openmx/reader.pyc
/usr/lib/python2.7/site-packages/ase/calculators/openmx/writer.py
/usr/lib/python2.7/site-packages/ase/calculators/openmx/writer.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/__init__.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/__init__.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/base_siesta.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/base_siesta.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/import_functions.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/import_functions.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/import_ion_xml.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/import_ion_xml.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/mbpt_lcao.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/mbpt_lcao.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/mbpt_lcao_io.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/mbpt_lcao_io.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/mbpt_lcao_utils.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/mbpt_lcao_utils.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/parameters.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/parameters.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/siesta.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/siesta.pyc
/usr/lib/python2.7/site-packages/ase/calculators/siesta/siesta_raman.py
/usr/lib/python2.7/site-packages/ase/calculators/siesta/siesta_raman.pyc
/usr/lib/python2.7/site-packages/ase/calculators/vasp/__init__.py
/usr/lib/python2.7/site-packages/ase/calculators/vasp/__init__.pyc
/usr/lib/python2.7/site-packages/ase/calculators/vasp/create_input.py
/usr/lib/python2.7/site-packages/ase/calculators/vasp/create_input.pyc
/usr/lib/python2.7/site-packages/ase/calculators/vasp/interactive.py
/usr/lib/python2.7/site-packages/ase/calculators/vasp/interactive.pyc
/usr/lib/python2.7/site-packages/ase/calculators/vasp/setups.py
/usr/lib/python2.7/site-packages/ase/calculators/vasp/setups.pyc
/usr/lib/python2.7/site-packages/ase/calculators/vasp/vasp.py
/usr/lib/python2.7/site-packages/ase/calculators/vasp/vasp.pyc
/usr/lib/python2.7/site-packages/ase/calculators/vasp/vasp2.py
/usr/lib/python2.7/site-packages/ase/calculators/vasp/vasp2.pyc
/usr/lib/python2.7/site-packages/ase/cli/__init__.py
/usr/lib/python2.7/site-packages/ase/cli/__init__.pyc
/usr/lib/python2.7/site-packages/ase/cli/band_structure.py
/usr/lib/python2.7/site-packages/ase/cli/band_structure.pyc
/usr/lib/python2.7/site-packages/ase/cli/build.py
/usr/lib/python2.7/site-packages/ase/cli/build.pyc
/usr/lib/python2.7/site-packages/ase/cli/complete.py
/usr/lib/python2.7/site-packages/ase/cli/complete.pyc
/usr/lib/python2.7/site-packages/ase/cli/completion.py
/usr/lib/python2.7/site-packages/ase/cli/completion.pyc
/usr/lib/python2.7/site-packages/ase/cli/convert.py
/usr/lib/python2.7/site-packages/ase/cli/convert.pyc
/usr/lib/python2.7/site-packages/ase/cli/find.py
/usr/lib/python2.7/site-packages/ase/cli/find.pyc
/usr/lib/python2.7/site-packages/ase/cli/info.py
/usr/lib/python2.7/site-packages/ase/cli/info.pyc
/usr/lib/python2.7/site-packages/ase/cli/main.py
/usr/lib/python2.7/site-packages/ase/cli/main.pyc
/usr/lib/python2.7/site-packages/ase/cli/nomad.py
/usr/lib/python2.7/site-packages/ase/cli/nomad.pyc
/usr/lib/python2.7/site-packages/ase/cli/nomadget.py
/usr/lib/python2.7/site-packages/ase/cli/nomadget.pyc
/usr/lib/python2.7/site-packages/ase/cli/reciprocal.py
/usr/lib/python2.7/site-packages/ase/cli/reciprocal.pyc
/usr/lib/python2.7/site-packages/ase/cli/run.py
/usr/lib/python2.7/site-packages/ase/cli/run.pyc
/usr/lib/python2.7/site-packages/ase/cluster/__init__.py
/usr/lib/python2.7/site-packages/ase/cluster/__init__.pyc
/usr/lib/python2.7/site-packages/ase/cluster/base.py
/usr/lib/python2.7/site-packages/ase/cluster/base.pyc
/usr/lib/python2.7/site-packages/ase/cluster/cluster.py
/usr/lib/python2.7/site-packages/ase/cluster/cluster.pyc
/usr/lib/python2.7/site-packages/ase/cluster/compounds.py
/usr/lib/python2.7/site-packages/ase/cluster/compounds.pyc
/usr/lib/python2.7/site-packages/ase/cluster/cubic.py
/usr/lib/python2.7/site-packages/ase/cluster/cubic.pyc
/usr/lib/python2.7/site-packages/ase/cluster/decahedron.py
/usr/lib/python2.7/site-packages/ase/cluster/decahedron.pyc
/usr/lib/python2.7/site-packages/ase/cluster/factory.py
/usr/lib/python2.7/site-packages/ase/cluster/factory.pyc
/usr/lib/python2.7/site-packages/ase/cluster/hexagonal.py
/usr/lib/python2.7/site-packages/ase/cluster/hexagonal.pyc
/usr/lib/python2.7/site-packages/ase/cluster/icosahedron.py
/usr/lib/python2.7/site-packages/ase/cluster/icosahedron.pyc
/usr/lib/python2.7/site-packages/ase/cluster/octahedron.py
/usr/lib/python2.7/site-packages/ase/cluster/octahedron.pyc
/usr/lib/python2.7/site-packages/ase/cluster/wulff.py
/usr/lib/python2.7/site-packages/ase/cluster/wulff.pyc
/usr/lib/python2.7/site-packages/ase/cluster/data/__init__.py
/usr/lib/python2.7/site-packages/ase/cluster/data/__init__.pyc
/usr/lib/python2.7/site-packages/ase/cluster/data/au.py
/usr/lib/python2.7/site-packages/ase/cluster/data/au.pyc
/usr/lib/python2.7/site-packages/ase/cluster/data/fcc.py
/usr/lib/python2.7/site-packages/ase/cluster/data/fcc.pyc
/usr/lib/python2.7/site-packages/ase/cluster/data/hcp.py
/usr/lib/python2.7/site-packages/ase/cluster/data/hcp.pyc
/usr/lib/python2.7/site-packages/ase/cluster/data/symmetry.py
/usr/lib/python2.7/site-packages/ase/cluster/data/symmetry.pyc
/usr/lib/python2.7/site-packages/ase/collections/__init__.py
/usr/lib/python2.7/site-packages/ase/collections/__init__.pyc
/usr/lib/python2.7/site-packages/ase/collections/collection.py
/usr/lib/python2.7/site-packages/ase/collections/collection.pyc
/usr/lib/python2.7/site-packages/ase/collections/create.py
/usr/lib/python2.7/site-packages/ase/collections/create.pyc
/usr/lib/python2.7/site-packages/ase/collections/dcdft.json
/usr/lib/python2.7/site-packages/ase/collections/g2.json
/usr/lib/python2.7/site-packages/ase/collections/s22.json
/usr/lib/python2.7/site-packages/ase/data/__init__.py
/usr/lib/python2.7/site-packages/ase/data/__init__.pyc
/usr/lib/python2.7/site-packages/ase/data/alternatives.py
/usr/lib/python2.7/site-packages/ase/data/alternatives.pyc
/usr/lib/python2.7/site-packages/ase/data/cccbdb_ip.py
/usr/lib/python2.7/site-packages/ase/data/cccbdb_ip.pyc
/usr/lib/python2.7/site-packages/ase/data/colors.py
/usr/lib/python2.7/site-packages/ase/data/colors.pyc
/usr/lib/python2.7/site-packages/ase/data/dbh24.py
/usr/lib/python2.7/site-packages/ase/data/dbh24.pyc
/usr/lib/python2.7/site-packages/ase/data/extra_molecules.py
/usr/lib/python2.7/site-packages/ase/data/extra_molecules.pyc
/usr/lib/python2.7/site-packages/ase/data/g2.py
/usr/lib/python2.7/site-packages/ase/data/g2.pyc
/usr/lib/python2.7/site-packages/ase/data/g2_1.py
/usr/lib/python2.7/site-packages/ase/data/g2_1.pyc
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref.py
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref.pyc
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref_g03.py
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref_g03.pyc
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref_vasp.py
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref_vasp.pyc
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref_wien97.py
/usr/lib/python2.7/site-packages/ase/data/g2_1_ref_wien97.pyc
/usr/lib/python2.7/site-packages/ase/data/g2_2.py
/usr/lib/python2.7/site-packages/ase/data/g2_2.pyc
/usr/lib/python2.7/site-packages/ase/data/gmtkn30.py
/usr/lib/python2.7/site-packages/ase/data/gmtkn30.pyc
/usr/lib/python2.7/site-packages/ase/data/isotopes.py
/usr/lib/python2.7/site-packages/ase/data/isotopes.pyc
/usr/lib/python2.7/site-packages/ase/data/molecules.py
/usr/lib/python2.7/site-packages/ase/data/molecules.pyc
/usr/lib/python2.7/site-packages/ase/data/s22.py
/usr/lib/python2.7/site-packages/ase/data/s22.pyc
/usr/lib/python2.7/site-packages/ase/data/tmfp06d.py
/usr/lib/python2.7/site-packages/ase/data/tmfp06d.pyc
/usr/lib/python2.7/site-packages/ase/data/tmgmjbp04n.py
/usr/lib/python2.7/site-packages/ase/data/tmgmjbp04n.pyc
/usr/lib/python2.7/site-packages/ase/data/tmxr200x.py
/usr/lib/python2.7/site-packages/ase/data/tmxr200x.pyc
/usr/lib/python2.7/site-packages/ase/data/tmxr200x_tm1r2006.py
/usr/lib/python2.7/site-packages/ase/data/tmxr200x_tm1r2006.pyc
/usr/lib/python2.7/site-packages/ase/data/tmxr200x_tm2r2007.py
/usr/lib/python2.7/site-packages/ase/data/tmxr200x_tm2r2007.pyc
/usr/lib/python2.7/site-packages/ase/data/tmxr200x_tm3r2008.py
/usr/lib/python2.7/site-packages/ase/data/tmxr200x_tm3r2008.pyc
/usr/lib/python2.7/site-packages/ase/data/vdw.py
/usr/lib/python2.7/site-packages/ase/data/vdw.pyc
/usr/lib/python2.7/site-packages/ase/data/vdw_alvarez.py
/usr/lib/python2.7/site-packages/ase/data/vdw_alvarez.pyc
/usr/lib/python2.7/site-packages/ase/db/__init__.py
/usr/lib/python2.7/site-packages/ase/db/__init__.pyc
/usr/lib/python2.7/site-packages/ase/db/__main__.py
/usr/lib/python2.7/site-packages/ase/db/__main__.pyc
/usr/lib/python2.7/site-packages/ase/db/app.py
/usr/lib/python2.7/site-packages/ase/db/app.pyc
/usr/lib/python2.7/site-packages/ase/db/cli.py
/usr/lib/python2.7/site-packages/ase/db/cli.pyc
/usr/lib/python2.7/site-packages/ase/db/convert.py
/usr/lib/python2.7/site-packages/ase/db/convert.pyc
/usr/lib/python2.7/site-packages/ase/db/core.py
/usr/lib/python2.7/site-packages/ase/db/core.pyc
/usr/lib/python2.7/site-packages/ase/db/jsondb.py
/usr/lib/python2.7/site-packages/ase/db/jsondb.pyc
/usr/lib/python2.7/site-packages/ase/db/plot.py
/usr/lib/python2.7/site-packages/ase/db/plot.pyc
/usr/lib/python2.7/site-packages/ase/db/postgresql.py
/usr/lib/python2.7/site-packages/ase/db/postgresql.pyc
/usr/lib/python2.7/site-packages/ase/db/row.py
/usr/lib/python2.7/site-packages/ase/db/row.pyc
/usr/lib/python2.7/site-packages/ase/db/sqlite.py
/usr/lib/python2.7/site-packages/ase/db/sqlite.pyc
/usr/lib/python2.7/site-packages/ase/db/summary.py
/usr/lib/python2.7/site-packages/ase/db/summary.pyc
/usr/lib/python2.7/site-packages/ase/db/table.py
/usr/lib/python2.7/site-packages/ase/db/table.pyc
/usr/lib/python2.7/site-packages/ase/db/web.py
/usr/lib/python2.7/site-packages/ase/db/web.pyc
/usr/lib/python2.7/site-packages/ase/db/static/style.css
/usr/lib/python2.7/site-packages/ase/db/static/summary.js
/usr/lib/python2.7/site-packages/ase/db/templates/js.html
/usr/lib/python2.7/site-packages/ase/db/templates/layout.html
/usr/lib/python2.7/site-packages/ase/db/templates/projects.html
/usr/lib/python2.7/site-packages/ase/db/templates/style.html
/usr/lib/python2.7/site-packages/ase/db/templates/summary.html
/usr/lib/python2.7/site-packages/ase/db/templates/table.html
/usr/lib/python2.7/site-packages/ase/dft/__init__.py
/usr/lib/python2.7/site-packages/ase/dft/__init__.pyc
/usr/lib/python2.7/site-packages/ase/dft/band_structure.py
/usr/lib/python2.7/site-packages/ase/dft/band_structure.pyc
/usr/lib/python2.7/site-packages/ase/dft/bandgap.py
/usr/lib/python2.7/site-packages/ase/dft/bandgap.pyc
/usr/lib/python2.7/site-packages/ase/dft/bee.py
/usr/lib/python2.7/site-packages/ase/dft/bee.pyc
/usr/lib/python2.7/site-packages/ase/dft/bz.py
/usr/lib/python2.7/site-packages/ase/dft/bz.pyc
/usr/lib/python2.7/site-packages/ase/dft/dos.py
/usr/lib/python2.7/site-packages/ase/dft/dos.pyc
/usr/lib/python2.7/site-packages/ase/dft/kpoints.py
/usr/lib/python2.7/site-packages/ase/dft/kpoints.pyc
/usr/lib/python2.7/site-packages/ase/dft/pars_beefvdw.py
/usr/lib/python2.7/site-packages/ase/dft/pars_beefvdw.pyc
/usr/lib/python2.7/site-packages/ase/dft/pars_mbeef.py
/usr/lib/python2.7/site-packages/ase/dft/pars_mbeef.pyc
/usr/lib/python2.7/site-packages/ase/dft/pars_mbeefvdw.py
/usr/lib/python2.7/site-packages/ase/dft/pars_mbeefvdw.pyc
/usr/lib/python2.7/site-packages/ase/dft/pdos.py
/usr/lib/python2.7/site-packages/ase/dft/pdos.pyc
/usr/lib/python2.7/site-packages/ase/dft/stm.py
/usr/lib/python2.7/site-packages/ase/dft/stm.pyc
/usr/lib/python2.7/site-packages/ase/dft/wannier.py
/usr/lib/python2.7/site-packages/ase/dft/wannier.pyc
/usr/lib/python2.7/site-packages/ase/ga/__init__.py
/usr/lib/python2.7/site-packages/ase/ga/__init__.pyc
/usr/lib/python2.7/site-packages/ase/ga/adsorbate_comparators.py
/usr/lib/python2.7/site-packages/ase/ga/adsorbate_comparators.pyc
/usr/lib/python2.7/site-packages/ase/ga/adsorbate_operators.py
/usr/lib/python2.7/site-packages/ase/ga/adsorbate_operators.pyc
/usr/lib/python2.7/site-packages/ase/ga/convergence.py
/usr/lib/python2.7/site-packages/ase/ga/convergence.pyc
/usr/lib/python2.7/site-packages/ase/ga/cutandsplicepairing.py
/usr/lib/python2.7/site-packages/ase/ga/cutandsplicepairing.pyc
/usr/lib/python2.7/site-packages/ase/ga/data.py
/usr/lib/python2.7/site-packages/ase/ga/data.pyc
/usr/lib/python2.7/site-packages/ase/ga/element_crossovers.py
/usr/lib/python2.7/site-packages/ase/ga/element_crossovers.pyc
/usr/lib/python2.7/site-packages/ase/ga/element_mutations.py
/usr/lib/python2.7/site-packages/ase/ga/element_mutations.pyc
/usr/lib/python2.7/site-packages/ase/ga/multiprocessingrun.py
/usr/lib/python2.7/site-packages/ase/ga/multiprocessingrun.pyc
/usr/lib/python2.7/site-packages/ase/ga/offspring_creator.py
/usr/lib/python2.7/site-packages/ase/ga/offspring_creator.pyc
/usr/lib/python2.7/site-packages/ase/ga/parallellocalrun.py
/usr/lib/python2.7/site-packages/ase/ga/parallellocalrun.pyc
/usr/lib/python2.7/site-packages/ase/ga/particle_comparator.py
/usr/lib/python2.7/site-packages/ase/ga/particle_comparator.pyc
/usr/lib/python2.7/site-packages/ase/ga/particle_crossovers.py
/usr/lib/python2.7/site-packages/ase/ga/particle_crossovers.pyc
/usr/lib/python2.7/site-packages/ase/ga/particle_mutations.py
/usr/lib/python2.7/site-packages/ase/ga/particle_mutations.pyc
/usr/lib/python2.7/site-packages/ase/ga/pbs_queue_run.py
/usr/lib/python2.7/site-packages/ase/ga/pbs_queue_run.pyc
/usr/lib/python2.7/site-packages/ase/ga/population.py
/usr/lib/python2.7/site-packages/ase/ga/population.pyc
/usr/lib/python2.7/site-packages/ase/ga/relax_attaches.py
/usr/lib/python2.7/site-packages/ase/ga/relax_attaches.pyc
/usr/lib/python2.7/site-packages/ase/ga/slab_operators.py
/usr/lib/python2.7/site-packages/ase/ga/slab_operators.pyc
/usr/lib/python2.7/site-packages/ase/ga/standard_comparators.py
/usr/lib/python2.7/site-packages/ase/ga/standard_comparators.pyc
/usr/lib/python2.7/site-packages/ase/ga/standardmutations.py
/usr/lib/python2.7/site-packages/ase/ga/standardmutations.pyc
/usr/lib/python2.7/site-packages/ase/ga/startgenerator.py
/usr/lib/python2.7/site-packages/ase/ga/startgenerator.pyc
/usr/lib/python2.7/site-packages/ase/ga/utilities.py
/usr/lib/python2.7/site-packages/ase/ga/utilities.pyc
/usr/lib/python2.7/site-packages/ase/geometry/__init__.py
/usr/lib/python2.7/site-packages/ase/geometry/__init__.pyc
/usr/lib/python2.7/site-packages/ase/geometry/cell.py
/usr/lib/python2.7/site-packages/ase/geometry/cell.pyc
/usr/lib/python2.7/site-packages/ase/geometry/distance.py
/usr/lib/python2.7/site-packages/ase/geometry/distance.pyc
/usr/lib/python2.7/site-packages/ase/geometry/geometry.py
/usr/lib/python2.7/site-packages/ase/geometry/geometry.pyc
/usr/lib/python2.7/site-packages/ase/gui/__init__.py
/usr/lib/python2.7/site-packages/ase/gui/__init__.pyc
/usr/lib/python2.7/site-packages/ase/gui/__main__.py
/usr/lib/python2.7/site-packages/ase/gui/__main__.pyc
/usr/lib/python2.7/site-packages/ase/gui/add.py
/usr/lib/python2.7/site-packages/ase/gui/add.pyc
/usr/lib/python2.7/site-packages/ase/gui/ag.py
/usr/lib/python2.7/site-packages/ase/gui/ag.pyc
/usr/lib/python2.7/site-packages/ase/gui/calculator.py
/usr/lib/python2.7/site-packages/ase/gui/calculator.pyc
/usr/lib/python2.7/site-packages/ase/gui/celleditor.py
/usr/lib/python2.7/site-packages/ase/gui/celleditor.pyc
/usr/lib/python2.7/site-packages/ase/gui/colors.py
/usr/lib/python2.7/site-packages/ase/gui/colors.pyc
/usr/lib/python2.7/site-packages/ase/gui/constraints.py
/usr/lib/python2.7/site-packages/ase/gui/constraints.pyc
/usr/lib/python2.7/site-packages/ase/gui/crystal.py
/usr/lib/python2.7/site-packages/ase/gui/crystal.pyc
/usr/lib/python2.7/site-packages/ase/gui/defaults.py
/usr/lib/python2.7/site-packages/ase/gui/defaults.pyc
/usr/lib/python2.7/site-packages/ase/gui/energyforces.py
/usr/lib/python2.7/site-packages/ase/gui/energyforces.pyc
/usr/lib/python2.7/site-packages/ase/gui/execute.py
/usr/lib/python2.7/site-packages/ase/gui/execute.pyc
/usr/lib/python2.7/site-packages/ase/gui/graphene.py
/usr/lib/python2.7/site-packages/ase/gui/graphene.pyc
/usr/lib/python2.7/site-packages/ase/gui/graphs.py
/usr/lib/python2.7/site-packages/ase/gui/graphs.pyc
/usr/lib/python2.7/site-packages/ase/gui/gui.py
/usr/lib/python2.7/site-packages/ase/gui/gui.pyc
/usr/lib/python2.7/site-packages/ase/gui/i18n.py
/usr/lib/python2.7/site-packages/ase/gui/i18n.pyc
/usr/lib/python2.7/site-packages/ase/gui/images.py
/usr/lib/python2.7/site-packages/ase/gui/images.pyc
/usr/lib/python2.7/site-packages/ase/gui/minimize.py
/usr/lib/python2.7/site-packages/ase/gui/minimize.pyc
/usr/lib/python2.7/site-packages/ase/gui/modify.py
/usr/lib/python2.7/site-packages/ase/gui/modify.pyc
/usr/lib/python2.7/site-packages/ase/gui/movie.py
/usr/lib/python2.7/site-packages/ase/gui/movie.pyc
/usr/lib/python2.7/site-packages/ase/gui/nanoparticle.py
/usr/lib/python2.7/site-packages/ase/gui/nanoparticle.pyc
/usr/lib/python2.7/site-packages/ase/gui/nanotube.py
/usr/lib/python2.7/site-packages/ase/gui/nanotube.pyc
/usr/lib/python2.7/site-packages/ase/gui/pipe.py
/usr/lib/python2.7/site-packages/ase/gui/pipe.pyc
/usr/lib/python2.7/site-packages/ase/gui/progress.py
/usr/lib/python2.7/site-packages/ase/gui/progress.pyc
/usr/lib/python2.7/site-packages/ase/gui/quickinfo.py
/usr/lib/python2.7/site-packages/ase/gui/quickinfo.pyc
/usr/lib/python2.7/site-packages/ase/gui/render.py
/usr/lib/python2.7/site-packages/ase/gui/render.pyc
/usr/lib/python2.7/site-packages/ase/gui/repeat.py
/usr/lib/python2.7/site-packages/ase/gui/repeat.pyc
/usr/lib/python2.7/site-packages/ase/gui/rot_tools.py
/usr/lib/python2.7/site-packages/ase/gui/rot_tools.pyc
/usr/lib/python2.7/site-packages/ase/gui/rotate.py
/usr/lib/python2.7/site-packages/ase/gui/rotate.pyc
/usr/lib/python2.7/site-packages/ase/gui/save.py
/usr/lib/python2.7/site-packages/ase/gui/save.pyc
/usr/lib/python2.7/site-packages/ase/gui/settings.py
/usr/lib/python2.7/site-packages/ase/gui/settings.pyc
/usr/lib/python2.7/site-packages/ase/gui/simulation.py
/usr/lib/python2.7/site-packages/ase/gui/simulation.pyc
/usr/lib/python2.7/site-packages/ase/gui/status.py
/usr/lib/python2.7/site-packages/ase/gui/status.pyc
/usr/lib/python2.7/site-packages/ase/gui/surfaceslab.py
/usr/lib/python2.7/site-packages/ase/gui/surfaceslab.pyc
/usr/lib/python2.7/site-packages/ase/gui/ui.py
/usr/lib/python2.7/site-packages/ase/gui/ui.pyc
/usr/lib/python2.7/site-packages/ase/gui/utils.py
/usr/lib/python2.7/site-packages/ase/gui/utils.pyc
/usr/lib/python2.7/site-packages/ase/gui/view.py
/usr/lib/python2.7/site-packages/ase/gui/view.pyc
/usr/lib/python2.7/site-packages/ase/gui/widgets.py
/usr/lib/python2.7/site-packages/ase/gui/widgets.pyc
/usr/lib/python2.7/site-packages/ase/gui/po/
/usr/lib/python2.7/site-packages/ase/gui/po/da/
/usr/lib/python2.7/site-packages/ase/gui/po/da/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/gui/po/de/
/usr/lib/python2.7/site-packages/ase/gui/po/de/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/gui/po/en_GB/
/usr/lib/python2.7/site-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/gui/po/es/
/usr/lib/python2.7/site-packages/ase/gui/po/es/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/gui/po/eu/
/usr/lib/python2.7/site-packages/ase/gui/po/eu/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/gui/po/fr/
/usr/lib/python2.7/site-packages/ase/gui/po/fr/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/gui/po/gl/
/usr/lib/python2.7/site-packages/ase/gui/po/gl/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/gui/po/zh_CN/
/usr/lib/python2.7/site-packages/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo
/usr/lib/python2.7/site-packages/ase/io/__init__.py
/usr/lib/python2.7/site-packages/ase/io/__init__.pyc
/usr/lib/python2.7/site-packages/ase/io/abinit.py
/usr/lib/python2.7/site-packages/ase/io/abinit.pyc
/usr/lib/python2.7/site-packages/ase/io/aff.py
/usr/lib/python2.7/site-packages/ase/io/aff.pyc
/usr/lib/python2.7/site-packages/ase/io/aims.py
/usr/lib/python2.7/site-packages/ase/io/aims.pyc
/usr/lib/python2.7/site-packages/ase/io/animation.py
/usr/lib/python2.7/site-packages/ase/io/animation.pyc
/usr/lib/python2.7/site-packages/ase/io/bader.py
/usr/lib/python2.7/site-packages/ase/io/bader.pyc
/usr/lib/python2.7/site-packages/ase/io/bundlemanipulate.py
/usr/lib/python2.7/site-packages/ase/io/bundlemanipulate.pyc
/usr/lib/python2.7/site-packages/ase/io/bundletrajectory.py
/usr/lib/python2.7/site-packages/ase/io/bundletrajectory.pyc
/usr/lib/python2.7/site-packages/ase/io/castep.py
/usr/lib/python2.7/site-packages/ase/io/castep.pyc
/usr/lib/python2.7/site-packages/ase/io/cfg.py
/usr/lib/python2.7/site-packages/ase/io/cfg.pyc
/usr/lib/python2.7/site-packages/ase/io/cif.py
/usr/lib/python2.7/site-packages/ase/io/cif.pyc
/usr/lib/python2.7/site-packages/ase/io/cmdft.py
/usr/lib/python2.7/site-packages/ase/io/cmdft.pyc
/usr/lib/python2.7/site-packages/ase/io/crystal.py
/usr/lib/python2.7/site-packages/ase/io/crystal.pyc
/usr/lib/python2.7/site-packages/ase/io/cube.py
/usr/lib/python2.7/site-packages/ase/io/cube.pyc
/usr/lib/python2.7/site-packages/ase/io/dacapo.py
/usr/lib/python2.7/site-packages/ase/io/dacapo.pyc
/usr/lib/python2.7/site-packages/ase/io/db.py
/usr/lib/python2.7/site-packages/ase/io/db.pyc
/usr/lib/python2.7/site-packages/ase/io/dftb.py
/usr/lib/python2.7/site-packages/ase/io/dftb.pyc
/usr/lib/python2.7/site-packages/ase/io/dlp4.py
/usr/lib/python2.7/site-packages/ase/io/dlp4.pyc
/usr/lib/python2.7/site-packages/ase/io/dmol.py
/usr/lib/python2.7/site-packages/ase/io/dmol.pyc
/usr/lib/python2.7/site-packages/ase/io/elk.py
/usr/lib/python2.7/site-packages/ase/io/elk.pyc
/usr/lib/python2.7/site-packages/ase/io/eon.py
/usr/lib/python2.7/site-packages/ase/io/eon.pyc
/usr/lib/python2.7/site-packages/ase/io/eps.py
/usr/lib/python2.7/site-packages/ase/io/eps.pyc
/usr/lib/python2.7/site-packages/ase/io/espresso.py
/usr/lib/python2.7/site-packages/ase/io/espresso.pyc
/usr/lib/python2.7/site-packages/ase/io/etsf.py
/usr/lib/python2.7/site-packages/ase/io/etsf.pyc
/usr/lib/python2.7/site-packages/ase/io/exciting.py
/usr/lib/python2.7/site-packages/ase/io/exciting.pyc
/usr/lib/python2.7/site-packages/ase/io/extxyz.py
/usr/lib/python2.7/site-packages/ase/io/extxyz.pyc
/usr/lib/python2.7/site-packages/ase/io/findsym.py
/usr/lib/python2.7/site-packages/ase/io/findsym.pyc
/usr/lib/python2.7/site-packages/ase/io/foldtrajectory.py
/usr/lib/python2.7/site-packages/ase/io/foldtrajectory.pyc
/usr/lib/python2.7/site-packages/ase/io/formats.py
/usr/lib/python2.7/site-packages/ase/io/formats.pyc
/usr/lib/python2.7/site-packages/ase/io/fortranfile.py
/usr/lib/python2.7/site-packages/ase/io/fortranfile.pyc
/usr/lib/python2.7/site-packages/ase/io/gaussian.py
/usr/lib/python2.7/site-packages/ase/io/gaussian.pyc
/usr/lib/python2.7/site-packages/ase/io/gaussian_reader.py
/usr/lib/python2.7/site-packages/ase/io/gaussian_reader.pyc
/usr/lib/python2.7/site-packages/ase/io/gen.py
/usr/lib/python2.7/site-packages/ase/io/gen.pyc
/usr/lib/python2.7/site-packages/ase/io/gpaw_out.py
/usr/lib/python2.7/site-packages/ase/io/gpaw_out.pyc
/usr/lib/python2.7/site-packages/ase/io/gpw.py
/usr/lib/python2.7/site-packages/ase/io/gpw.pyc
/usr/lib/python2.7/site-packages/ase/io/gromacs.py
/usr/lib/python2.7/site-packages/ase/io/gromacs.pyc
/usr/lib/python2.7/site-packages/ase/io/gromos.py
/usr/lib/python2.7/site-packages/ase/io/gromos.pyc
/usr/lib/python2.7/site-packages/ase/io/iwm.py
/usr/lib/python2.7/site-packages/ase/io/iwm.pyc
/usr/lib/python2.7/site-packages/ase/io/jsonio.py
/usr/lib/python2.7/site-packages/ase/io/jsonio.pyc
/usr/lib/python2.7/site-packages/ase/io/jsv.py
/usr/lib/python2.7/site-packages/ase/io/jsv.pyc
/usr/lib/python2.7/site-packages/ase/io/lammpsdata.py
/usr/lib/python2.7/site-packages/ase/io/lammpsdata.pyc
/usr/lib/python2.7/site-packages/ase/io/lammpsrun.py
/usr/lib/python2.7/site-packages/ase/io/lammpsrun.pyc
/usr/lib/python2.7/site-packages/ase/io/magres.py
/usr/lib/python2.7/site-packages/ase/io/magres.pyc
/usr/lib/python2.7/site-packages/ase/io/mol.py
/usr/lib/python2.7/site-packages/ase/io/mol.pyc
/usr/lib/python2.7/site-packages/ase/io/mustem.py
/usr/lib/python2.7/site-packages/ase/io/mustem.pyc
/usr/lib/python2.7/site-packages/ase/io/netcdftrajectory.py
/usr/lib/python2.7/site-packages/ase/io/netcdftrajectory.pyc
/usr/lib/python2.7/site-packages/ase/io/nomad_json.py
/usr/lib/python2.7/site-packages/ase/io/nomad_json.pyc
/usr/lib/python2.7/site-packages/ase/io/nwchem.py
/usr/lib/python2.7/site-packages/ase/io/nwchem.pyc
/usr/lib/python2.7/site-packages/ase/io/octopus.py
/usr/lib/python2.7/site-packages/ase/io/octopus.pyc
/usr/lib/python2.7/site-packages/ase/io/opls.py
/usr/lib/python2.7/site-packages/ase/io/opls.pyc
/usr/lib/python2.7/site-packages/ase/io/pickletrajectory.py
/usr/lib/python2.7/site-packages/ase/io/pickletrajectory.pyc
/usr/lib/python2.7/site-packages/ase/io/plt.py
/usr/lib/python2.7/site-packages/ase/io/plt.pyc
/usr/lib/python2.7/site-packages/ase/io/png.py
/usr/lib/python2.7/site-packages/ase/io/png.pyc
/usr/lib/python2.7/site-packages/ase/io/pov.py
/usr/lib/python2.7/site-packages/ase/io/pov.pyc
/usr/lib/python2.7/site-packages/ase/io/proteindatabank.py
/usr/lib/python2.7/site-packages/ase/io/proteindatabank.pyc
/usr/lib/python2.7/site-packages/ase/io/py.py
/usr/lib/python2.7/site-packages/ase/io/py.pyc
/usr/lib/python2.7/site-packages/ase/io/qbox.py
/usr/lib/python2.7/site-packages/ase/io/qbox.pyc
/usr/lib/python2.7/site-packages/ase/io/res.py
/usr/lib/python2.7/site-packages/ase/io/res.pyc
/usr/lib/python2.7/site-packages/ase/io/sdf.py
/usr/lib/python2.7/site-packages/ase/io/sdf.pyc
/usr/lib/python2.7/site-packages/ase/io/siesta.py
/usr/lib/python2.7/site-packages/ase/io/siesta.pyc
/usr/lib/python2.7/site-packages/ase/io/trajectory.py
/usr/lib/python2.7/site-packages/ase/io/trajectory.pyc
/usr/lib/python2.7/site-packages/ase/io/turbomole.py
/usr/lib/python2.7/site-packages/ase/io/turbomole.pyc
/usr/lib/python2.7/site-packages/ase/io/ulm.py
/usr/lib/python2.7/site-packages/ase/io/ulm.pyc
/usr/lib/python2.7/site-packages/ase/io/utils.py
/usr/lib/python2.7/site-packages/ase/io/utils.pyc
/usr/lib/python2.7/site-packages/ase/io/v_sim.py
/usr/lib/python2.7/site-packages/ase/io/v_sim.pyc
/usr/lib/python2.7/site-packages/ase/io/vasp.py
/usr/lib/python2.7/site-packages/ase/io/vasp.pyc
/usr/lib/python2.7/site-packages/ase/io/vtkxml.py
/usr/lib/python2.7/site-packages/ase/io/vtkxml.pyc
/usr/lib/python2.7/site-packages/ase/io/wien2k.py
/usr/lib/python2.7/site-packages/ase/io/wien2k.pyc
/usr/lib/python2.7/site-packages/ase/io/x3d.py
/usr/lib/python2.7/site-packages/ase/io/x3d.pyc
/usr/lib/python2.7/site-packages/ase/io/xsd.py
/usr/lib/python2.7/site-packages/ase/io/xsd.pyc
/usr/lib/python2.7/site-packages/ase/io/xsf.py
/usr/lib/python2.7/site-packages/ase/io/xsf.pyc
/usr/lib/python2.7/site-packages/ase/io/xyz.py
/usr/lib/python2.7/site-packages/ase/io/xyz.pyc
/usr/lib/python2.7/site-packages/ase/lattice/__init__.py
/usr/lib/python2.7/site-packages/ase/lattice/__init__.pyc
/usr/lib/python2.7/site-packages/ase/lattice/bravais.py
/usr/lib/python2.7/site-packages/ase/lattice/bravais.pyc
/usr/lib/python2.7/site-packages/ase/lattice/compounds.py
/usr/lib/python2.7/site-packages/ase/lattice/compounds.pyc
/usr/lib/python2.7/site-packages/ase/lattice/cubic.py
/usr/lib/python2.7/site-packages/ase/lattice/cubic.pyc
/usr/lib/python2.7/site-packages/ase/lattice/hexagonal.py
/usr/lib/python2.7/site-packages/ase/lattice/hexagonal.pyc
/usr/lib/python2.7/site-packages/ase/lattice/monoclinic.py
/usr/lib/python2.7/site-packages/ase/lattice/monoclinic.pyc
/usr/lib/python2.7/site-packages/ase/lattice/orthorhombic.py
/usr/lib/python2.7/site-packages/ase/lattice/orthorhombic.pyc
/usr/lib/python2.7/site-packages/ase/lattice/spacegroup.py
/usr/lib/python2.7/site-packages/ase/lattice/spacegroup.pyc
/usr/lib/python2.7/site-packages/ase/lattice/surface.py
/usr/lib/python2.7/site-packages/ase/lattice/surface.pyc
/usr/lib/python2.7/site-packages/ase/lattice/tetragonal.py
/usr/lib/python2.7/site-packages/ase/lattice/tetragonal.pyc
/usr/lib/python2.7/site-packages/ase/lattice/triclinic.py
/usr/lib/python2.7/site-packages/ase/lattice/triclinic.pyc
/usr/lib/python2.7/site-packages/ase/md/__init__.py
/usr/lib/python2.7/site-packages/ase/md/__init__.pyc
/usr/lib/python2.7/site-packages/ase/md/fix.py
/usr/lib/python2.7/site-packages/ase/md/fix.pyc
/usr/lib/python2.7/site-packages/ase/md/langevin.py
/usr/lib/python2.7/site-packages/ase/md/langevin.pyc
/usr/lib/python2.7/site-packages/ase/md/logger.py
/usr/lib/python2.7/site-packages/ase/md/logger.pyc
/usr/lib/python2.7/site-packages/ase/md/md.py
/usr/lib/python2.7/site-packages/ase/md/md.pyc
/usr/lib/python2.7/site-packages/ase/md/npt.py
/usr/lib/python2.7/site-packages/ase/md/npt.pyc
/usr/lib/python2.7/site-packages/ase/md/nptberendsen.py
/usr/lib/python2.7/site-packages/ase/md/nptberendsen.pyc
/usr/lib/python2.7/site-packages/ase/md/nvtberendsen.py
/usr/lib/python2.7/site-packages/ase/md/nvtberendsen.pyc
/usr/lib/python2.7/site-packages/ase/md/velocitydistribution.py
/usr/lib/python2.7/site-packages/ase/md/velocitydistribution.pyc
/usr/lib/python2.7/site-packages/ase/md/verlet.py
/usr/lib/python2.7/site-packages/ase/md/verlet.pyc
/usr/lib/python2.7/site-packages/ase/optimize/__init__.py
/usr/lib/python2.7/site-packages/ase/optimize/__init__.pyc
/usr/lib/python2.7/site-packages/ase/optimize/basin.py
/usr/lib/python2.7/site-packages/ase/optimize/basin.pyc
/usr/lib/python2.7/site-packages/ase/optimize/bfgs.py
/usr/lib/python2.7/site-packages/ase/optimize/bfgs.pyc
/usr/lib/python2.7/site-packages/ase/optimize/bfgslinesearch.py
/usr/lib/python2.7/site-packages/ase/optimize/bfgslinesearch.pyc
/usr/lib/python2.7/site-packages/ase/optimize/fire.py
/usr/lib/python2.7/site-packages/ase/optimize/fire.pyc
/usr/lib/python2.7/site-packages/ase/optimize/fmin_bfgs.py
/usr/lib/python2.7/site-packages/ase/optimize/fmin_bfgs.pyc
/usr/lib/python2.7/site-packages/ase/optimize/lbfgs.py
/usr/lib/python2.7/site-packages/ase/optimize/lbfgs.pyc
/usr/lib/python2.7/site-packages/ase/optimize/mdmin.py
/usr/lib/python2.7/site-packages/ase/optimize/mdmin.pyc
/usr/lib/python2.7/site-packages/ase/optimize/minimahopping.py
/usr/lib/python2.7/site-packages/ase/optimize/minimahopping.pyc
/usr/lib/python2.7/site-packages/ase/optimize/oldqn.py
/usr/lib/python2.7/site-packages/ase/optimize/oldqn.pyc
/usr/lib/python2.7/site-packages/ase/optimize/optimize.py
/usr/lib/python2.7/site-packages/ase/optimize/optimize.pyc
/usr/lib/python2.7/site-packages/ase/optimize/sciopt.py
/usr/lib/python2.7/site-packages/ase/optimize/sciopt.pyc
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/__init__.py
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/__init__.pyc
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/gp.py
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/gp.pyc
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/gpmin.py
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/gpmin.pyc
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/kernel.py
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/kernel.pyc
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/prior.py
/usr/lib/python2.7/site-packages/ase/optimize/gpmin/prior.pyc
/usr/lib/python2.7/site-packages/ase/optimize/precon/__init__.py
/usr/lib/python2.7/site-packages/ase/optimize/precon/__init__.pyc
/usr/lib/python2.7/site-packages/ase/optimize/precon/fire.py
/usr/lib/python2.7/site-packages/ase/optimize/precon/fire.pyc
/usr/lib/python2.7/site-packages/ase/optimize/precon/lbfgs.py
/usr/lib/python2.7/site-packages/ase/optimize/precon/lbfgs.pyc
/usr/lib/python2.7/site-packages/ase/optimize/precon/neighbors.py
/usr/lib/python2.7/site-packages/ase/optimize/precon/neighbors.pyc
/usr/lib/python2.7/site-packages/ase/optimize/precon/precon.py
/usr/lib/python2.7/site-packages/ase/optimize/precon/precon.pyc
/usr/lib/python2.7/site-packages/ase/optimize/test/__init__.py
/usr/lib/python2.7/site-packages/ase/optimize/test/__init__.pyc
/usr/lib/python2.7/site-packages/ase/optimize/test/analyze.py
/usr/lib/python2.7/site-packages/ase/optimize/test/analyze.pyc
/usr/lib/python2.7/site-packages/ase/optimize/test/generate_rst.py
/usr/lib/python2.7/site-packages/ase/optimize/test/generate_rst.pyc
/usr/lib/python2.7/site-packages/ase/optimize/test/neb.py
/usr/lib/python2.7/site-packages/ase/optimize/test/neb.pyc
/usr/lib/python2.7/site-packages/ase/optimize/test/systems.py
/usr/lib/python2.7/site-packages/ase/optimize/test/systems.pyc
/usr/lib/python2.7/site-packages/ase/optimize/test/test.py
/usr/lib/python2.7/site-packages/ase/optimize/test/test.pyc
/usr/lib/python2.7/site-packages/ase/spacegroup/__init__.py
/usr/lib/python2.7/site-packages/ase/spacegroup/__init__.pyc
/usr/lib/python2.7/site-packages/ase/spacegroup/findsym.py
/usr/lib/python2.7/site-packages/ase/spacegroup/findsym.pyc
/usr/lib/python2.7/site-packages/ase/spacegroup/spacegroup.dat
/usr/lib/python2.7/site-packages/ase/spacegroup/spacegroup.py
/usr/lib/python2.7/site-packages/ase/spacegroup/spacegroup.pyc
/usr/lib/python2.7/site-packages/ase/spacegroup/xtal.py
/usr/lib/python2.7/site-packages/ase/spacegroup/xtal.pyc
/usr/lib/python2.7/site-packages/ase/test/Ag-Cu100.py
/usr/lib/python2.7/site-packages/ase/test/Ag-Cu100.pyc
/usr/lib/python2.7/site-packages/ase/test/CO2_Au111.py
/usr/lib/python2.7/site-packages/ase/test/CO2_Au111.pyc
/usr/lib/python2.7/site-packages/ase/test/COCu111.py
/usr/lib/python2.7/site-packages/ase/test/COCu111.pyc
/usr/lib/python2.7/site-packages/ase/test/COCu111_2.py
/usr/lib/python2.7/site-packages/ase/test/COCu111_2.pyc
/usr/lib/python2.7/site-packages/ase/test/__init__.py
/usr/lib/python2.7/site-packages/ase/test/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/__main__.py
/usr/lib/python2.7/site-packages/ase/test/__main__.pyc
/usr/lib/python2.7/site-packages/ase/test/ag.py
/usr/lib/python2.7/site-packages/ase/test/ag.pyc
/usr/lib/python2.7/site-packages/ase/test/atom.py
/usr/lib/python2.7/site-packages/ase/test/atom.pyc
/usr/lib/python2.7/site-packages/ase/test/atoms.py
/usr/lib/python2.7/site-packages/ase/test/atoms.pyc
/usr/lib/python2.7/site-packages/ase/test/atoms_angle.py
/usr/lib/python2.7/site-packages/ase/test/atoms_angle.pyc
/usr/lib/python2.7/site-packages/ase/test/atoms_distance.py
/usr/lib/python2.7/site-packages/ase/test/atoms_distance.pyc
/usr/lib/python2.7/site-packages/ase/test/atoms_formula.py
/usr/lib/python2.7/site-packages/ase/test/atoms_formula.pyc
/usr/lib/python2.7/site-packages/ase/test/atoms_get_duplicates.py
/usr/lib/python2.7/site-packages/ase/test/atoms_get_duplicates.pyc
/usr/lib/python2.7/site-packages/ase/test/atoms_info_copy.py
/usr/lib/python2.7/site-packages/ase/test/atoms_info_copy.pyc
/usr/lib/python2.7/site-packages/ase/test/autoneb.py
/usr/lib/python2.7/site-packages/ase/test/autoneb.pyc
/usr/lib/python2.7/site-packages/ase/test/bader.py
/usr/lib/python2.7/site-packages/ase/test/bader.pyc
/usr/lib/python2.7/site-packages/ase/test/bandgap.py
/usr/lib/python2.7/site-packages/ase/test/bandgap.pyc
/usr/lib/python2.7/site-packages/ase/test/bandstructure.py
/usr/lib/python2.7/site-packages/ase/test/bandstructure.pyc
/usr/lib/python2.7/site-packages/ase/test/basin.py
/usr/lib/python2.7/site-packages/ase/test/basin.pyc
/usr/lib/python2.7/site-packages/ase/test/build.py
/usr/lib/python2.7/site-packages/ase/test/build.pyc
/usr/lib/python2.7/site-packages/ase/test/bulk.py
/usr/lib/python2.7/site-packages/ase/test/bulk.pyc
/usr/lib/python2.7/site-packages/ase/test/c60.py
/usr/lib/python2.7/site-packages/ase/test/c60.pyc
/usr/lib/python2.7/site-packages/ase/test/cell_conv.py
/usr/lib/python2.7/site-packages/ase/test/cell_conv.pyc
/usr/lib/python2.7/site-packages/ase/test/center.py
/usr/lib/python2.7/site-packages/ase/test/center.pyc
/usr/lib/python2.7/site-packages/ase/test/center_nonperiodic.py
/usr/lib/python2.7/site-packages/ase/test/center_nonperiodic.pyc
/usr/lib/python2.7/site-packages/ase/test/checkpoint.py
/usr/lib/python2.7/site-packages/ase/test/checkpoint.pyc
/usr/lib/python2.7/site-packages/ase/test/com.py
/usr/lib/python2.7/site-packages/ase/test/com.pyc
/usr/lib/python2.7/site-packages/ase/test/cutoffs_test.py
/usr/lib/python2.7/site-packages/ase/test/cutoffs_test.pyc
/usr/lib/python2.7/site-packages/ase/test/dependency_matplotlib.py
/usr/lib/python2.7/site-packages/ase/test/dependency_matplotlib.pyc
/usr/lib/python2.7/site-packages/ase/test/dihedralconstraint.py
/usr/lib/python2.7/site-packages/ase/test/dihedralconstraint.pyc
/usr/lib/python2.7/site-packages/ase/test/dimer.py
/usr/lib/python2.7/site-packages/ase/test/dimer.pyc
/usr/lib/python2.7/site-packages/ase/test/dimer_method.py
/usr/lib/python2.7/site-packages/ase/test/dimer_method.pyc
/usr/lib/python2.7/site-packages/ase/test/distance.py
/usr/lib/python2.7/site-packages/ase/test/distance.pyc
/usr/lib/python2.7/site-packages/ase/test/distmom.py
/usr/lib/python2.7/site-packages/ase/test/distmom.pyc
/usr/lib/python2.7/site-packages/ase/test/doctests.py
/usr/lib/python2.7/site-packages/ase/test/doctests.pyc
/usr/lib/python2.7/site-packages/ase/test/dos.py
/usr/lib/python2.7/site-packages/ase/test/dos.pyc
/usr/lib/python2.7/site-packages/ase/test/dynamic_neb.py
/usr/lib/python2.7/site-packages/ase/test/dynamic_neb.pyc
/usr/lib/python2.7/site-packages/ase/test/eam_pot.py
/usr/lib/python2.7/site-packages/ase/test/eam_pot.pyc
/usr/lib/python2.7/site-packages/ase/test/eam_pot_test.py
/usr/lib/python2.7/site-packages/ase/test/eam_pot_test.pyc
/usr/lib/python2.7/site-packages/ase/test/eam_test.py
/usr/lib/python2.7/site-packages/ase/test/eam_test.pyc
/usr/lib/python2.7/site-packages/ase/test/emt.py
/usr/lib/python2.7/site-packages/ase/test/emt.pyc
/usr/lib/python2.7/site-packages/ase/test/emt1.py
/usr/lib/python2.7/site-packages/ase/test/emt1.pyc
/usr/lib/python2.7/site-packages/ase/test/emt2.py
/usr/lib/python2.7/site-packages/ase/test/emt2.pyc
/usr/lib/python2.7/site-packages/ase/test/emt_h3o2m.py
/usr/lib/python2.7/site-packages/ase/test/emt_h3o2m.pyc
/usr/lib/python2.7/site-packages/ase/test/eos.py
/usr/lib/python2.7/site-packages/ase/test/eos.pyc
/usr/lib/python2.7/site-packages/ase/test/example.py
/usr/lib/python2.7/site-packages/ase/test/example.pyc
/usr/lib/python2.7/site-packages/ase/test/external_force.py
/usr/lib/python2.7/site-packages/ase/test/external_force.pyc
/usr/lib/python2.7/site-packages/ase/test/filter.py
/usr/lib/python2.7/site-packages/ase/test/filter.pyc
/usr/lib/python2.7/site-packages/ase/test/fire.py
/usr/lib/python2.7/site-packages/ase/test/fire.pyc
/usr/lib/python2.7/site-packages/ase/test/fix_bond_length_mic.py
/usr/lib/python2.7/site-packages/ase/test/fix_bond_length_mic.pyc
/usr/lib/python2.7/site-packages/ase/test/forceqmmm.py
/usr/lib/python2.7/site-packages/ase/test/forceqmmm.pyc
/usr/lib/python2.7/site-packages/ase/test/formula.py
/usr/lib/python2.7/site-packages/ase/test/formula.pyc
/usr/lib/python2.7/site-packages/ase/test/franck_condon.py
/usr/lib/python2.7/site-packages/ase/test/franck_condon.pyc
/usr/lib/python2.7/site-packages/ase/test/geometry.py
/usr/lib/python2.7/site-packages/ase/test/geometry.pyc
/usr/lib/python2.7/site-packages/ase/test/get_angles.py
/usr/lib/python2.7/site-packages/ase/test/get_angles.pyc
/usr/lib/python2.7/site-packages/ase/test/h2.py
/usr/lib/python2.7/site-packages/ase/test/h2.pyc
/usr/lib/python2.7/site-packages/ase/test/hcp.py
/usr/lib/python2.7/site-packages/ase/test/hcp.pyc
/usr/lib/python2.7/site-packages/ase/test/hookean.py
/usr/lib/python2.7/site-packages/ase/test/hookean.pyc
/usr/lib/python2.7/site-packages/ase/test/idpp.py
/usr/lib/python2.7/site-packages/ase/test/idpp.pyc
/usr/lib/python2.7/site-packages/ase/test/ipi_protocol_bfgs.py
/usr/lib/python2.7/site-packages/ase/test/ipi_protocol_bfgs.pyc
/usr/lib/python2.7/site-packages/ase/test/issue276.py
/usr/lib/python2.7/site-packages/ase/test/issue276.pyc
/usr/lib/python2.7/site-packages/ase/test/kpts.py
/usr/lib/python2.7/site-packages/ase/test/kpts.pyc
/usr/lib/python2.7/site-packages/ase/test/langevin.py
/usr/lib/python2.7/site-packages/ase/test/langevin.pyc
/usr/lib/python2.7/site-packages/ase/test/lattice_lindep.py
/usr/lib/python2.7/site-packages/ase/test/lattice_lindep.pyc
/usr/lib/python2.7/site-packages/ase/test/linesearch_maxstep.py
/usr/lib/python2.7/site-packages/ase/test/linesearch_maxstep.pyc
/usr/lib/python2.7/site-packages/ase/test/matplotlib_plot.py
/usr/lib/python2.7/site-packages/ase/test/matplotlib_plot.pyc
/usr/lib/python2.7/site-packages/ase/test/maxwellboltzmann.py
/usr/lib/python2.7/site-packages/ase/test/maxwellboltzmann.pyc
/usr/lib/python2.7/site-packages/ase/test/md.py
/usr/lib/python2.7/site-packages/ase/test/md.pyc
/usr/lib/python2.7/site-packages/ase/test/mic.py
/usr/lib/python2.7/site-packages/ase/test/mic.pyc
/usr/lib/python2.7/site-packages/ase/test/minimahop.py
/usr/lib/python2.7/site-packages/ase/test/minimahop.pyc
/usr/lib/python2.7/site-packages/ase/test/n2.py
/usr/lib/python2.7/site-packages/ase/test/n2.pyc
/usr/lib/python2.7/site-packages/ase/test/neb.py
/usr/lib/python2.7/site-packages/ase/test/neb.pyc
/usr/lib/python2.7/site-packages/ase/test/neb_tr.py
/usr/lib/python2.7/site-packages/ase/test/neb_tr.pyc
/usr/lib/python2.7/site-packages/ase/test/neighbor.py
/usr/lib/python2.7/site-packages/ase/test/neighbor.pyc
/usr/lib/python2.7/site-packages/ase/test/neighbor_kernel.py
/usr/lib/python2.7/site-packages/ase/test/neighbor_kernel.pyc
/usr/lib/python2.7/site-packages/ase/test/niggli.py
/usr/lib/python2.7/site-packages/ase/test/niggli.pyc
/usr/lib/python2.7/site-packages/ase/test/noncollinear.py
/usr/lib/python2.7/site-packages/ase/test/noncollinear.pyc
/usr/lib/python2.7/site-packages/ase/test/phonon_md_init.py
/usr/lib/python2.7/site-packages/ase/test/phonon_md_init.pyc
/usr/lib/python2.7/site-packages/ase/test/pourbaix.py
/usr/lib/python2.7/site-packages/ase/test/pourbaix.pyc
/usr/lib/python2.7/site-packages/ase/test/precon_amin.py
/usr/lib/python2.7/site-packages/ase/test/precon_amin.pyc
/usr/lib/python2.7/site-packages/ase/test/preconlbfgs.py
/usr/lib/python2.7/site-packages/ase/test/preconlbfgs.pyc
/usr/lib/python2.7/site-packages/ase/test/preconsmallcell.py
/usr/lib/python2.7/site-packages/ase/test/preconsmallcell.pyc
/usr/lib/python2.7/site-packages/ase/test/preconunitcellfilter.py
/usr/lib/python2.7/site-packages/ase/test/preconunitcellfilter.pyc
/usr/lib/python2.7/site-packages/ase/test/properties.py
/usr/lib/python2.7/site-packages/ase/test/properties.pyc
/usr/lib/python2.7/site-packages/ase/test/pull.py
/usr/lib/python2.7/site-packages/ase/test/pull.pyc
/usr/lib/python2.7/site-packages/ase/test/qmmm.py
/usr/lib/python2.7/site-packages/ase/test/qmmm.pyc
/usr/lib/python2.7/site-packages/ase/test/qmmm_tip4p.py
/usr/lib/python2.7/site-packages/ase/test/qmmm_tip4p.pyc
/usr/lib/python2.7/site-packages/ase/test/quaternions.py
/usr/lib/python2.7/site-packages/ase/test/quaternions.pyc
/usr/lib/python2.7/site-packages/ase/test/rattle.py
/usr/lib/python2.7/site-packages/ase/test/rattle.pyc
/usr/lib/python2.7/site-packages/ase/test/repeat_FixAtoms.py
/usr/lib/python2.7/site-packages/ase/test/repeat_FixAtoms.pyc
/usr/lib/python2.7/site-packages/ase/test/replay.py
/usr/lib/python2.7/site-packages/ase/test/replay.pyc
/usr/lib/python2.7/site-packages/ase/test/root_test.py
/usr/lib/python2.7/site-packages/ase/test/root_test.pyc
/usr/lib/python2.7/site-packages/ase/test/rotate.py
/usr/lib/python2.7/site-packages/ase/test/rotate.pyc
/usr/lib/python2.7/site-packages/ase/test/rotate_euler.py
/usr/lib/python2.7/site-packages/ase/test/rotate_euler.pyc
/usr/lib/python2.7/site-packages/ase/test/s22.py
/usr/lib/python2.7/site-packages/ase/test/s22.pyc
/usr/lib/python2.7/site-packages/ase/test/scaled_positions.py
/usr/lib/python2.7/site-packages/ase/test/scaled_positions.pyc
/usr/lib/python2.7/site-packages/ase/test/scientificpython_bug.py
/usr/lib/python2.7/site-packages/ase/test/scientificpython_bug.pyc
/usr/lib/python2.7/site-packages/ase/test/set_get_angle.py
/usr/lib/python2.7/site-packages/ase/test/set_get_angle.pyc
/usr/lib/python2.7/site-packages/ase/test/set_momenta.py
/usr/lib/python2.7/site-packages/ase/test/set_momenta.pyc
/usr/lib/python2.7/site-packages/ase/test/singlepointcalc.py
/usr/lib/python2.7/site-packages/ase/test/singlepointcalc.pyc
/usr/lib/python2.7/site-packages/ase/test/spacegroup_crystal.py
/usr/lib/python2.7/site-packages/ase/test/spacegroup_crystal.pyc
/usr/lib/python2.7/site-packages/ase/test/stm.py
/usr/lib/python2.7/site-packages/ase/test/stm.pyc
/usr/lib/python2.7/site-packages/ase/test/strain.py
/usr/lib/python2.7/site-packages/ase/test/strain.pyc
/usr/lib/python2.7/site-packages/ase/test/strain_emt.py
/usr/lib/python2.7/site-packages/ase/test/strain_emt.pyc
/usr/lib/python2.7/site-packages/ase/test/stress.py
/usr/lib/python2.7/site-packages/ase/test/stress.pyc
/usr/lib/python2.7/site-packages/ase/test/structure_comparator.py
/usr/lib/python2.7/site-packages/ase/test/structure_comparator.pyc
/usr/lib/python2.7/site-packages/ase/test/surface.py
/usr/lib/python2.7/site-packages/ase/test/surface.pyc
/usr/lib/python2.7/site-packages/ase/test/surface_stack.py
/usr/lib/python2.7/site-packages/ase/test/surface_stack.pyc
/usr/lib/python2.7/site-packages/ase/test/symbols.py
/usr/lib/python2.7/site-packages/ase/test/symbols.pyc
/usr/lib/python2.7/site-packages/ase/test/testsuite.py
/usr/lib/python2.7/site-packages/ase/test/testsuite.pyc
/usr/lib/python2.7/site-packages/ase/test/thermochemistry.py
/usr/lib/python2.7/site-packages/ase/test/thermochemistry.pyc
/usr/lib/python2.7/site-packages/ase/test/things.py
/usr/lib/python2.7/site-packages/ase/test/things.pyc
/usr/lib/python2.7/site-packages/ase/test/tip4p.py
/usr/lib/python2.7/site-packages/ase/test/tip4p.pyc
/usr/lib/python2.7/site-packages/ase/test/tipnp.py
/usr/lib/python2.7/site-packages/ase/test/tipnp.pyc
/usr/lib/python2.7/site-packages/ase/test/unitcellfilter.py
/usr/lib/python2.7/site-packages/ase/test/unitcellfilter.pyc
/usr/lib/python2.7/site-packages/ase/test/unitcellfilter2.py
/usr/lib/python2.7/site-packages/ase/test/unitcellfilter2.pyc
/usr/lib/python2.7/site-packages/ase/test/unitcellfilterpressure.py
/usr/lib/python2.7/site-packages/ase/test/unitcellfilterpressure.pyc
/usr/lib/python2.7/site-packages/ase/test/units.py
/usr/lib/python2.7/site-packages/ase/test/units.pyc
/usr/lib/python2.7/site-packages/ase/test/vacancy.py
/usr/lib/python2.7/site-packages/ase/test/vacancy.pyc
/usr/lib/python2.7/site-packages/ase/test/verlet.py
/usr/lib/python2.7/site-packages/ase/test/verlet.pyc
/usr/lib/python2.7/site-packages/ase/test/vib.py
/usr/lib/python2.7/site-packages/ase/test/vib.pyc
/usr/lib/python2.7/site-packages/ase/test/x3d.py
/usr/lib/python2.7/site-packages/ase/test/x3d.pyc
/usr/lib/python2.7/site-packages/ase/test/xrdebye.py
/usr/lib/python2.7/site-packages/ase/test/xrdebye.pyc
/usr/lib/python2.7/site-packages/ase/test/abinit/__init__.py
/usr/lib/python2.7/site-packages/ase/test/abinit/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/abinit/abinit_Si.py
/usr/lib/python2.7/site-packages/ase/test/abinit/abinit_Si.pyc
/usr/lib/python2.7/site-packages/ase/test/abinit/abinit_cmdline.py
/usr/lib/python2.7/site-packages/ase/test/abinit/abinit_cmdline.pyc
/usr/lib/python2.7/site-packages/ase/test/aims/H2O_aims.py
/usr/lib/python2.7/site-packages/ase/test/aims/H2O_aims.pyc
/usr/lib/python2.7/site-packages/ase/test/aims/__init__.py
/usr/lib/python2.7/site-packages/ase/test/aims/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/aims/aims_cmdline.py
/usr/lib/python2.7/site-packages/ase/test/aims/aims_cmdline.pyc
/usr/lib/python2.7/site-packages/ase/test/aims/aims_interface.py
/usr/lib/python2.7/site-packages/ase/test/aims/aims_interface.pyc
/usr/lib/python2.7/site-packages/ase/test/amber/__init__.py
/usr/lib/python2.7/site-packages/ase/test/amber/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/amber/amber.py
/usr/lib/python2.7/site-packages/ase/test/amber/amber.pyc
/usr/lib/python2.7/site-packages/ase/test/calculator/__init__.py
/usr/lib/python2.7/site-packages/ase/test/calculator/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/calculator/al.py
/usr/lib/python2.7/site-packages/ase/test/calculator/al.pyc
/usr/lib/python2.7/site-packages/ase/test/calculator/bandgap.py
/usr/lib/python2.7/site-packages/ase/test/calculator/bandgap.pyc
/usr/lib/python2.7/site-packages/ase/test/calculator/h2.py
/usr/lib/python2.7/site-packages/ase/test/calculator/h2.pyc
/usr/lib/python2.7/site-packages/ase/test/calculator/kd2mp.py
/usr/lib/python2.7/site-packages/ase/test/calculator/kd2mp.pyc
/usr/lib/python2.7/site-packages/ase/test/calculator/traj.py
/usr/lib/python2.7/site-packages/ase/test/calculator/traj.pyc
/usr/lib/python2.7/site-packages/ase/test/castep/__init__.py
/usr/lib/python2.7/site-packages/ase/test/castep/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/castep/castep_interface.py
/usr/lib/python2.7/site-packages/ase/test/castep/castep_interface.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/__init__.py
/usr/lib/python2.7/site-packages/ase/test/constraints/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/fixatoms.py
/usr/lib/python2.7/site-packages/ase/test/constraints/fixatoms.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/fixbonds.py
/usr/lib/python2.7/site-packages/ase/test/constraints/fixbonds.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/fixcom.py
/usr/lib/python2.7/site-packages/ase/test/constraints/fixcom.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/getindices.py
/usr/lib/python2.7/site-packages/ase/test/constraints/getindices.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/hookean_pbc.py
/usr/lib/python2.7/site-packages/ase/test/constraints/hookean_pbc.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/negativeindex.py
/usr/lib/python2.7/site-packages/ase/test/constraints/negativeindex.pyc
/usr/lib/python2.7/site-packages/ase/test/constraints/setpos.py
/usr/lib/python2.7/site-packages/ase/test/constraints/setpos.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/__init__.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_GeoOpt.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_GeoOpt.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_LDA.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_LDA.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_LS.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_LS.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_None.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_None.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_PBE.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_PBE.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_libxc.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_H2_libxc.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_MD.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_MD.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_O2.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_O2.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_restart.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_restart.pyc
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_stress.py
/usr/lib/python2.7/site-packages/ase/test/cp2k/cp2k_stress.pyc
/usr/lib/python2.7/site-packages/ase/test/crystal/__init__.py
/usr/lib/python2.7/site-packages/ase/test/crystal/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/crystal/bulk.py
/usr/lib/python2.7/site-packages/ase/test/crystal/bulk.pyc
/usr/lib/python2.7/site-packages/ase/test/crystal/graphene.py
/usr/lib/python2.7/site-packages/ase/test/crystal/graphene.pyc
/usr/lib/python2.7/site-packages/ase/test/crystal/molecule.py
/usr/lib/python2.7/site-packages/ase/test/crystal/molecule.pyc
/usr/lib/python2.7/site-packages/ase/test/db/__init__.py
/usr/lib/python2.7/site-packages/ase/test/db/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/db/config.py
/usr/lib/python2.7/site-packages/ase/test/db/config.pyc
/usr/lib/python2.7/site-packages/ase/test/db/db.py
/usr/lib/python2.7/site-packages/ase/test/db/db.pyc
/usr/lib/python2.7/site-packages/ase/test/db/db2.py
/usr/lib/python2.7/site-packages/ase/test/db/db2.pyc
/usr/lib/python2.7/site-packages/ase/test/db/db_web.py
/usr/lib/python2.7/site-packages/ase/test/db/db_web.pyc
/usr/lib/python2.7/site-packages/ase/test/db/jsondb.py
/usr/lib/python2.7/site-packages/ase/test/db/jsondb.pyc
/usr/lib/python2.7/site-packages/ase/test/db/metadata.py
/usr/lib/python2.7/site-packages/ase/test/db/metadata.pyc
/usr/lib/python2.7/site-packages/ase/test/db/update.py
/usr/lib/python2.7/site-packages/ase/test/db/update.pyc
/usr/lib/python2.7/site-packages/ase/test/demon/__init__.py
/usr/lib/python2.7/site-packages/ase/test/demon/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/demon/h2o.py
/usr/lib/python2.7/site-packages/ase/test/demon/h2o.pyc
/usr/lib/python2.7/site-packages/ase/test/demon/h2o_xas_xes.py
/usr/lib/python2.7/site-packages/ase/test/demon/h2o_xas_xes.pyc
/usr/lib/python2.7/site-packages/ase/test/dft/__init__.py
/usr/lib/python2.7/site-packages/ase/test/dft/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/dft/bandgap.py
/usr/lib/python2.7/site-packages/ase/test/dft/bandgap.pyc
/usr/lib/python2.7/site-packages/ase/test/dft/hex.py
/usr/lib/python2.7/site-packages/ase/test/dft/hex.pyc
/usr/lib/python2.7/site-packages/ase/test/dft/interpolate.py
/usr/lib/python2.7/site-packages/ase/test/dft/interpolate.pyc
/usr/lib/python2.7/site-packages/ase/test/dft/monoclinic.py
/usr/lib/python2.7/site-packages/ase/test/dft/monoclinic.pyc
/usr/lib/python2.7/site-packages/ase/test/dftb/__init__.py
/usr/lib/python2.7/site-packages/ase/test/dftb/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/dftb/h2o.py
/usr/lib/python2.7/site-packages/ase/test/dftb/h2o.pyc
/usr/lib/python2.7/site-packages/ase/test/dftb/n2ni111.py
/usr/lib/python2.7/site-packages/ase/test/dftb/n2ni111.pyc
/usr/lib/python2.7/site-packages/ase/test/dmol/Al_dmol.py
/usr/lib/python2.7/site-packages/ase/test/dmol/Al_dmol.pyc
/usr/lib/python2.7/site-packages/ase/test/dmol/__init__.py
/usr/lib/python2.7/site-packages/ase/test/dmol/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/dmol/water_dmol.py
/usr/lib/python2.7/site-packages/ase/test/dmol/water_dmol.pyc
/usr/lib/python2.7/site-packages/ase/test/elk/Al_rmt.py
/usr/lib/python2.7/site-packages/ase/test/elk/Al_rmt.pyc
/usr/lib/python2.7/site-packages/ase/test/elk/__init__.py
/usr/lib/python2.7/site-packages/ase/test/elk/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/elk/elk_cmdline.py
/usr/lib/python2.7/site-packages/ase/test/elk/elk_cmdline.pyc
/usr/lib/python2.7/site-packages/ase/test/eon/__init__.py
/usr/lib/python2.7/site-packages/ase/test/eon/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/eon/eon_masses.py
/usr/lib/python2.7/site-packages/ase/test/eon/eon_masses.pyc
/usr/lib/python2.7/site-packages/ase/test/eon/eon_readwrite.py
/usr/lib/python2.7/site-packages/ase/test/eon/eon_readwrite.pyc
/usr/lib/python2.7/site-packages/ase/test/espresso/__init__.py
/usr/lib/python2.7/site-packages/ase/test/espresso/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/espresso/espresso.py
/usr/lib/python2.7/site-packages/ase/test/espresso/espresso.pyc
/usr/lib/python2.7/site-packages/ase/test/exciting/__init__.py
/usr/lib/python2.7/site-packages/ase/test/exciting/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/exciting/exciting.py
/usr/lib/python2.7/site-packages/ase/test/exciting/exciting.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/__init__.py
/usr/lib/python2.7/site-packages/ase/test/fio/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/abinit.py
/usr/lib/python2.7/site-packages/ase/test/fio/abinit.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/animate.py
/usr/lib/python2.7/site-packages/ase/test/fio/animate.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/cfg.py
/usr/lib/python2.7/site-packages/ase/test/fio/cfg.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/cif.py
/usr/lib/python2.7/site-packages/ase/test/fio/cif.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/compression.py
/usr/lib/python2.7/site-packages/ase/test/fio/compression.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/dftb.py
/usr/lib/python2.7/site-packages/ase/test/fio/dftb.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/dmol.py
/usr/lib/python2.7/site-packages/ase/test/fio/dmol.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/espresso.py
/usr/lib/python2.7/site-packages/ase/test/fio/espresso.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/extxyz.py
/usr/lib/python2.7/site-packages/ase/test/fio/extxyz.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/info.py
/usr/lib/python2.7/site-packages/ase/test/fio/info.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/jsonio.py
/usr/lib/python2.7/site-packages/ase/test/fio/jsonio.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/magmom.py
/usr/lib/python2.7/site-packages/ase/test/fio/magmom.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/mustem.py
/usr/lib/python2.7/site-packages/ase/test/fio/mustem.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/netcdftrajectory.py
/usr/lib/python2.7/site-packages/ase/test/fio/netcdftrajectory.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/nomad.py
/usr/lib/python2.7/site-packages/ase/test/fio/nomad.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/nwchem.py
/usr/lib/python2.7/site-packages/ase/test/fio/nwchem.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/oi.py
/usr/lib/python2.7/site-packages/ase/test/fio/oi.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/oldtraj.py
/usr/lib/python2.7/site-packages/ase/test/fio/oldtraj.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/parallel.py
/usr/lib/python2.7/site-packages/ase/test/fio/parallel.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/pdb_cell_io.py
/usr/lib/python2.7/site-packages/ase/test/fio/pdb_cell_io.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/pdb_extra.py
/usr/lib/python2.7/site-packages/ase/test/fio/pdb_extra.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/res.py
/usr/lib/python2.7/site-packages/ase/test/fio/res.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/traj_bytesio.py
/usr/lib/python2.7/site-packages/ase/test/fio/traj_bytesio.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/trajectory.py
/usr/lib/python2.7/site-packages/ase/test/fio/trajectory.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/trajectory_heterogeneous.py
/usr/lib/python2.7/site-packages/ase/test/fio/trajectory_heterogeneous.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/turbomole.py
/usr/lib/python2.7/site-packages/ase/test/fio/turbomole.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/ulm.py
/usr/lib/python2.7/site-packages/ase/test/fio/ulm.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/v_sim.py
/usr/lib/python2.7/site-packages/ase/test/fio/v_sim.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/vasp_out.py
/usr/lib/python2.7/site-packages/ase/test/fio/vasp_out.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/xsd_bond.py
/usr/lib/python2.7/site-packages/ase/test/fio/xsd_bond.pyc
/usr/lib/python2.7/site-packages/ase/test/fio/xsf_spec.py
/usr/lib/python2.7/site-packages/ase/test/fio/xsf_spec.pyc
/usr/lib/python2.7/site-packages/ase/test/fleur/__init__.py
/usr/lib/python2.7/site-packages/ase/test/fleur/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/fleur/fleur_cmdline.py
/usr/lib/python2.7/site-packages/ase/test/fleur/fleur_cmdline.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/__init__.py
/usr/lib/python2.7/site-packages/ase/test/ga/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/add_candidates.py
/usr/lib/python2.7/site-packages/ase/test/ga/add_candidates.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/basic_example_main_run.py
/usr/lib/python2.7/site-packages/ase/test/ga/basic_example_main_run.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/create_database.py
/usr/lib/python2.7/site-packages/ase/test/ga/create_database.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/cutandsplicepairing.py
/usr/lib/python2.7/site-packages/ase/test/ga/cutandsplicepairing.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/database_logic.py
/usr/lib/python2.7/site-packages/ase/test/ga/database_logic.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/element_operators.py
/usr/lib/python2.7/site-packages/ase/test/ga/element_operators.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/mutations.py
/usr/lib/python2.7/site-packages/ase/test/ga/mutations.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/particle_comparators.py
/usr/lib/python2.7/site-packages/ase/test/ga/particle_comparators.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/particle_operators.py
/usr/lib/python2.7/site-packages/ase/test/ga/particle_operators.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/standardcomparator.py
/usr/lib/python2.7/site-packages/ase/test/ga/standardcomparator.pyc
/usr/lib/python2.7/site-packages/ase/test/ga/utilities.py
/usr/lib/python2.7/site-packages/ase/test/ga/utilities.pyc
/usr/lib/python2.7/site-packages/ase/test/gaussian/__init__.py
/usr/lib/python2.7/site-packages/ase/test/gaussian/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/gaussian/gaussian_cmdline.py
/usr/lib/python2.7/site-packages/ase/test/gaussian/gaussian_cmdline.pyc
/usr/lib/python2.7/site-packages/ase/test/gaussian/h2of.py
/usr/lib/python2.7/site-packages/ase/test/gaussian/h2of.pyc
/usr/lib/python2.7/site-packages/ase/test/gaussian/water.py
/usr/lib/python2.7/site-packages/ase/test/gaussian/water.pyc
/usr/lib/python2.7/site-packages/ase/test/gpaw/__init__.py
/usr/lib/python2.7/site-packages/ase/test/gpaw/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/gpaw/no_spin_and_spin.py
/usr/lib/python2.7/site-packages/ase/test/gpaw/no_spin_and_spin.pyc
/usr/lib/python2.7/site-packages/ase/test/gromacs/__init__.py
/usr/lib/python2.7/site-packages/ase/test/gromacs/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/gromacs/test_gromacs.py
/usr/lib/python2.7/site-packages/ase/test/gromacs/test_gromacs.pyc
/usr/lib/python2.7/site-packages/ase/test/gui/__init__.py
/usr/lib/python2.7/site-packages/ase/test/gui/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/gui/run.py
/usr/lib/python2.7/site-packages/ase/test/gui/run.pyc
/usr/lib/python2.7/site-packages/ase/test/jacapo/__init__.py
/usr/lib/python2.7/site-packages/ase/test/jacapo/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/jacapo/jacapo.py
/usr/lib/python2.7/site-packages/ase/test/jacapo/jacapo.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpsdata/__init__.py
/usr/lib/python2.7/site-packages/ase/test/lammpsdata/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpsdata/lammpsdata.py
/usr/lib/python2.7/site-packages/ase/test/lammpsdata/lammpsdata.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpslib/__init__.py
/usr/lib/python2.7/site-packages/ase/test/lammpslib/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpslib/lammpslib_interface.py
/usr/lib/python2.7/site-packages/ase/test/lammpslib/lammpslib_interface.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpslib/lammpslib_simple.py
/usr/lib/python2.7/site-packages/ase/test/lammpslib/lammpslib_simple.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/Ar_minimize.py
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/Ar_minimize.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/Ar_minimize_multistep.py
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/Ar_minimize_multistep.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/Pt_md_constraints_multistep.py
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/Pt_md_constraints_multistep.pyc
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/__init__.py
/usr/lib/python2.7/site-packages/ase/test/lammpsrun/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/nwchem/__init__.py
/usr/lib/python2.7/site-packages/ase/test/nwchem/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_broken_symmetry.py
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_broken_symmetry.pyc
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_cmdline.py
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_cmdline.pyc
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_h3o2m.py
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_h3o2m.pyc
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_spin_symmetry.py
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_spin_symmetry.pyc
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_strong_levelshift.py
/usr/lib/python2.7/site-packages/ase/test/nwchem/nwchem_strong_levelshift.pyc
/usr/lib/python2.7/site-packages/ase/test/octopus/__init__.py
/usr/lib/python2.7/site-packages/ase/test/octopus/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/octopus/big-test.py
/usr/lib/python2.7/site-packages/ase/test/octopus/big-test.pyc
/usr/lib/python2.7/site-packages/ase/test/octopus/restart-octopus.py
/usr/lib/python2.7/site-packages/ase/test/octopus/restart-octopus.pyc
/usr/lib/python2.7/site-packages/ase/test/onetep/__init__.py
/usr/lib/python2.7/site-packages/ase/test/onetep/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/onetep/onetep.py
/usr/lib/python2.7/site-packages/ase/test/onetep/onetep.pyc
/usr/lib/python2.7/site-packages/ase/test/qbox/__init__.py
/usr/lib/python2.7/site-packages/ase/test/qbox/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/qbox/qbox.py
/usr/lib/python2.7/site-packages/ase/test/qbox/qbox.pyc
/usr/lib/python2.7/site-packages/ase/test/qbox/qboxdata.py
/usr/lib/python2.7/site-packages/ase/test/qbox/qboxdata.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/__init__.py
/usr/lib/python2.7/site-packages/ase/test/siesta/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/siesta.py
/usr/lib/python2.7/site-packages/ase/test/siesta/siesta.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/__init__.py
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_mbpt_lcao.py
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_mbpt_lcao.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_pyscf.py
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_pyscf.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_pyscf_eels.py
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_pyscf_eels.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_raman.py
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_raman.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_raman_pyscf.py
/usr/lib/python2.7/site-packages/ase/test/siesta/mbpt_lcao/script_raman_pyscf.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/__init__.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/CH4/__init__.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/CH4/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/CH4/script.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/CH4/script.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/H2/__init__.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/H2/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/H2/script.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/H2/script.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Na8/__init__.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Na8/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Na8/script.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Na8/script.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Si/__init__.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Si/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Si/script.py
/usr/lib/python2.7/site-packages/ase/test/siesta/test_scripts/Si/script.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/__init__.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_2h2o.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_2h2o.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_H2.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_H2.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_au13.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_au13.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_h2o.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_h2o.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_h3o2m.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_h3o2m.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_optimizer.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_optimizer.pyc
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_qmmm.py
/usr/lib/python2.7/site-packages/ase/test/turbomole/turbomole_qmmm.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/__init__.py
/usr/lib/python2.7/site-packages/ase/test/vasp/__init__.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_Al_volrelax.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_Al_volrelax.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_cell.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_cell.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_check_state.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_check_state.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_co.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_co.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_import.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_import.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_kpoints.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_kpoints.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_wdir.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_wdir.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_xc.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_xc.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_xml.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp2_xml.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_Al_volrelax.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_Al_volrelax.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_cell.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_cell.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_co.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_co.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_input.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_input.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_kpoints.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_kpoints.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_setup.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_setup.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_xc.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_xc.pyc
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_xml.py
/usr/lib/python2.7/site-packages/ase/test/vasp/vasp_xml.pyc
/usr/lib/python2.7/site-packages/ase/transport/__init__.py
/usr/lib/python2.7/site-packages/ase/transport/__init__.pyc
/usr/lib/python2.7/site-packages/ase/transport/calculators.py
/usr/lib/python2.7/site-packages/ase/transport/calculators.pyc
/usr/lib/python2.7/site-packages/ase/transport/greenfunction.py
/usr/lib/python2.7/site-packages/ase/transport/greenfunction.pyc
/usr/lib/python2.7/site-packages/ase/transport/selfenergy.py
/usr/lib/python2.7/site-packages/ase/transport/selfenergy.pyc
/usr/lib/python2.7/site-packages/ase/transport/stm.py
/usr/lib/python2.7/site-packages/ase/transport/stm.pyc
/usr/lib/python2.7/site-packages/ase/transport/stm_test.py
/usr/lib/python2.7/site-packages/ase/transport/stm_test.pyc
/usr/lib/python2.7/site-packages/ase/transport/test_transport_calulator.py
/usr/lib/python2.7/site-packages/ase/transport/test_transport_calulator.pyc
/usr/lib/python2.7/site-packages/ase/transport/tools.py
/usr/lib/python2.7/site-packages/ase/transport/tools.pyc
/usr/lib/python2.7/site-packages/ase/utils/__init__.py
/usr/lib/python2.7/site-packages/ase/utils/__init__.pyc
/usr/lib/python2.7/site-packages/ase/utils/_linprog.py
/usr/lib/python2.7/site-packages/ase/utils/_linprog.pyc
/usr/lib/python2.7/site-packages/ase/utils/bee.py
/usr/lib/python2.7/site-packages/ase/utils/bee.pyc
/usr/lib/python2.7/site-packages/ase/utils/build_web_page.py
/usr/lib/python2.7/site-packages/ase/utils/build_web_page.pyc
/usr/lib/python2.7/site-packages/ase/utils/distance.py
/usr/lib/python2.7/site-packages/ase/utils/distance.pyc
/usr/lib/python2.7/site-packages/ase/utils/eos.py
/usr/lib/python2.7/site-packages/ase/utils/eos.pyc
/usr/lib/python2.7/site-packages/ase/utils/extrapolate.py
/usr/lib/python2.7/site-packages/ase/utils/extrapolate.pyc
/usr/lib/python2.7/site-packages/ase/utils/ff.py
/usr/lib/python2.7/site-packages/ase/utils/ff.pyc
/usr/lib/python2.7/site-packages/ase/utils/formula.py
/usr/lib/python2.7/site-packages/ase/utils/formula.pyc
/usr/lib/python2.7/site-packages/ase/utils/geometry.py
/usr/lib/python2.7/site-packages/ase/utils/geometry.pyc
/usr/lib/python2.7/site-packages/ase/utils/linesearch.py
/usr/lib/python2.7/site-packages/ase/utils/linesearch.pyc
/usr/lib/python2.7/site-packages/ase/utils/linesearcharmijo.py
/usr/lib/python2.7/site-packages/ase/utils/linesearcharmijo.pyc
/usr/lib/python2.7/site-packages/ase/utils/memory.py
/usr/lib/python2.7/site-packages/ase/utils/memory.pyc
/usr/lib/python2.7/site-packages/ase/utils/newrelease.py
/usr/lib/python2.7/site-packages/ase/utils/newrelease.pyc
/usr/lib/python2.7/site-packages/ase/utils/sphinx.py
/usr/lib/python2.7/site-packages/ase/utils/sphinx.pyc
/usr/lib/python2.7/site-packages/ase/utils/structure_comparator.py
/usr/lib/python2.7/site-packages/ase/utils/structure_comparator.pyc
/usr/lib/python2.7/site-packages/ase/utils/stylecheck.py
/usr/lib/python2.7/site-packages/ase/utils/stylecheck.pyc
/usr/lib/python2.7/site-packages/ase/utils/timing.py
/usr/lib/python2.7/site-packages/ase/utils/timing.pyc
/usr/lib/python2.7/site-packages/ase/utils/xrdebye.py
/usr/lib/python2.7/site-packages/ase/utils/xrdebye.pyc
/usr/lib/python2.7/site-packages/ase/vibrations/__init__.py
/usr/lib/python2.7/site-packages/ase/vibrations/__init__.pyc
/usr/lib/python2.7/site-packages/ase/vibrations/albrecht.py
/usr/lib/python2.7/site-packages/ase/vibrations/albrecht.pyc
/usr/lib/python2.7/site-packages/ase/vibrations/franck_condon.py
/usr/lib/python2.7/site-packages/ase/vibrations/franck_condon.pyc
/usr/lib/python2.7/site-packages/ase/vibrations/infrared.py
/usr/lib/python2.7/site-packages/ase/vibrations/infrared.pyc
/usr/lib/python2.7/site-packages/ase/vibrations/placzek.py
/usr/lib/python2.7/site-packages/ase/vibrations/placzek.pyc
/usr/lib/python2.7/site-packages/ase/vibrations/resonant_raman.py
/usr/lib/python2.7/site-packages/ase/vibrations/resonant_raman.pyc
/usr/lib/python2.7/site-packages/ase/vibrations/vibrations.py
/usr/lib/python2.7/site-packages/ase/vibrations/vibrations.pyc
/usr/lib/python2.7/site-packages/ase/visualize/__init__.py
/usr/lib/python2.7/site-packages/ase/visualize/__init__.pyc
/usr/lib/python2.7/site-packages/ase/visualize/colortable.py
/usr/lib/python2.7/site-packages/ase/visualize/colortable.pyc
/usr/lib/python2.7/site-packages/ase/visualize/fieldplotter.py
/usr/lib/python2.7/site-packages/ase/visualize/fieldplotter.pyc
/usr/lib/python2.7/site-packages/ase/visualize/mlab.py
/usr/lib/python2.7/site-packages/ase/visualize/mlab.pyc
/usr/lib/python2.7/site-packages/ase/visualize/ngl.py
/usr/lib/python2.7/site-packages/ase/visualize/ngl.pyc
/usr/lib/python2.7/site-packages/ase/visualize/plot.py
/usr/lib/python2.7/site-packages/ase/visualize/plot.pyc
/usr/lib/python2.7/site-packages/ase/visualize/primiplotter.py
/usr/lib/python2.7/site-packages/ase/visualize/primiplotter.pyc
/usr/lib/python2.7/site-packages/ase/visualize/sage.py
/usr/lib/python2.7/site-packages/ase/visualize/sage.pyc
/usr/lib/python2.7/site-packages/ase/visualize/x3d.py
/usr/lib/python2.7/site-packages/ase/visualize/x3d.pyc
/usr/share/doc/packages/python2-ase/COPYING
/usr/share/doc/packages/python2-ase/COPYING.LESSER
/usr/share/doc/packages/python2-ase/LICENSE

Changelog

2018-11-12 - thod_@gmx.de
- Update to ase 3.17.0
* General changes:
- atoms.symbols is now an array-like object which works like a
view of atoms.numbers, but based on chemical symbols.
This enables convenient shortcuts such as
mask = atoms.symbols == 'Au' or atoms.symbols[4:8] = 'Mo'.
- Test suite now runs in parallel.
- New DOS object for representing and plotting densities of states.
- Neighbor lists can now get connectivity matrices.
- ase convert now provides options to execute custom code on
each processed image.
- Phonons class now uses the DOS and BandStructure machinery.
- Positions and velocities can now be initialized from phononic
force constant matrix; see PhononHarmonics().
* Algorithms:
- New Gaussian Process (GP) regression optimizer (GPMin).
Check out this performance test.
- New filter for lattice optimization, ExpCellFilter, based on
an exponential reformulation of the degrees of freedom pertaining
to the cell. This is probably significantly faster than UnitCellFilter.
- UnitCellFilter now supports scalar pressure and hydrostatic strain.
- Compare if two bulk structure are symmetrically equivalent
with SymmetryEquivalenceCheck.
- NEB now supports a boolean keyword, dynamic_relaxation, which will
freeze or unfreeze images according to the size of the spring forces
so as to save force evaluations. Only implemented for serial NEB calculations.
- Writing a trajectory file from a parallelized NEB calculation is
now much simpler. Works the same way as for the serial case.
- New FixCom constraint for fixing center of mass.
* Calculators:
- Added ase.calculators.qmmm.ForceQMMM force-based QM/MM calculator.
- Socked-based interface to certain calculators through the socketio module
- Added calculator for OpenMX.
- Updated the Castep calculator
- Espresso and dftb now support the BandStructure machinery
* I/O:
- CIF reader now parses fractional occupancies if present.
The GUI visualizes fractional occupancies in the style of Pacman.
- Support for downloading calculations from the Nomad archive.
- Sequences of atoms objects can now be saved as animations using the
mechanisms offered by matplotlib. gif and mp4 are now recognized output formats.
* Database:
- ase.db.core.Database.write() method now takes a id that allows you to overwrite an existing row.
- ase.db.core.Database.update() can now update the Atoms and the data parts of a row.
- ase.db.core.Database.update() method will no longer accept a list of row ID?s as the first argument.
- Optimized performance of ase db, with enhanced speed of queries on key value pairs
for large SQLite (.db) database files. Also, The ase db server (PostgreSQL) backend
now uses native ARRAY and JSONB data types for storing NumPy arrays and dictionaries instead of the BYTEA datatype.
Note that backwards compatibility is lost for the postgreSQL backend, and that postgres version 9.4+ is required.
* GUI:
- Added callback method ase.gui.gui.GUI.repeat_poll() to the GUI. Useful for programmatically updating the GUI.
- Improved error handling and communication with subprocesses (for plots) in GUI.
- Added Basque translation.
2018-06-09 - thod_@gmx.de
- Update to ase 3.16.2
* Fix unit tests failing due to flask module
* Fix two less commonly reported issues with trajectory files:
1) writing trajectories on bigendian architectures
2) opening a trajectory in append mode and then writing images
with different headers
* 3.16.1 -> 3.16.2: Remove build files

See Also

Package Description
python2-geos-3.6.2-31.11.i586.rpm Python bindings for Geometry Engine
python2-geos-3.6.2-31.11.x86_64.rpm Python bindings for Geometry Engine
python2-owslib-0.16.0-2.5.noarch.rpm Python interface to OGC Web Services
python2-pcl-0.3.1_20180828-3.5.x86_64.rpm Library for point cloud processing
python2-petsc4py-3.7.0-3.6.i586.rpm Python bindings for PETSc
python2-petsc4py-3.7.0-3.6.x86_64.rpm Python bindings for PETSc
python2-petsc4py-openmpi-3.7.0-3.6.i586.rpm Python bindings for PETSc - openmpi enabled
python2-petsc4py-openmpi-3.7.0-3.6.x86_64.rpm Python bindings for PETSc - openmpi enabled
python2-pivy-0.6.4-12.4.i586.rpm Coin Binding for Python
python2-pivy-0.6.4-12.4.x86_64.rpm Coin Binding for Python
python2-power-1.4-8.10.noarch.rpm System power status information in Python
python2-pyproj-1.9.5.1-2.73.i586.rpm Python interface to PROJ4 library
python2-pyproj-1.9.5.1-2.73.x86_64.rpm Python interface to PROJ4 library
python3-FFC-2016.2.0-1.22.noarch.rpm A compiler for multilinear forms by generating code
python3-FIAT-2016.2.0-1.12.noarch.rpm The FInite element Automatic Tabulator FIAT
Advertisement
Advertisement