libbcsr0 - An experimental suite of programs for linear scaling quantum chemistry

Property Value
Distribution openSUSE Tumbleweed
Repository Education all
Package filename libbcsr0-1.0.8-28.212.i586.rpm
Package name libbcsr0
Package version 1.0.8
Package release 28.212
Package architecture i586
Package type rpm
Category Productivity/Scientific/Chemistry
License GPL-2.0
Maintainer -
Download size 14.13 KB
Installed size 16.14 KB
FreeON is an experimental, open source (GPL) suite of programs for linear scaling
quantum chemistry. It is highly modular, and has been written from scratch for
N-scaling SCF theory in Fortran95 and C. Platform independent I/O is supported with
HDF5. FreeON should compile with most modern Linux distributions and OS X. FreeON
performs Hartree-Fock, pure Density Functional, and hybrid HF/DFT calculations
(e.g. B3LYP) in a Cartesian-Gaussian LCAO basis. All algorithms are O(N) or
O(N log N) for non-metallic systems. Periodic boundary conditions in 1, 2 and 3
dimensions have been implemented through the Lorentz field (?-point), and an
internal coordinate geometry optimizer allows full (atom+cell) relaxation using
analytic derivatives. Effective core potentials for energies and forces have been
implemented. Advanced features include O(N) static and dynamic response, as well as
time reversible Born Oppenheimer Molecular Dynamics (MD).
This package contains libbcsr of freeon.


Package Version Architecture Repository
libbcsr0-1.0.8-28.212.x86_64.rpm 1.0.8 x86_64 Education
libbcsr0 - - -


Name Value
/sbin/ldconfig - - - - - - -


Name Value -
libbcsr0 = 1.0.8-28.212
libbcsr0(x86-32) = 1.0.8-28.212


Type URL
Binary Package libbcsr0-1.0.8-28.212.i586.rpm
Source Package freeon-1.0.8-28.212.src.rpm

Install Howto

  1. Add the Education repository:
    # zypper addrepo education
  2. Install libbcsr0 rpm package:
    # zypper install libbcsr0




2014-02-27 -
- initial commit

See Also

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