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cp2k-common - Molecular simulations software - common files
- Description:
CP2K is a freely available (GPL) program, written in Fortran 95, to
perform atomistic and molecular simulations of solid state, liquid,
molecular and biological systems. It provides a general framework for
different methods such as e.g. density functional theory (DFT) using a
mixed Gaussian and plane waves approach (GPW), and classical pair and
many-body potentials.
CP2K does not implement Car-Parinello Molecular Dynamics (CPMD).
This package contains the documentation and the manual.
Packages
| cp2k-common-2.4-3.20140428svn13818.el6.i686
[17 KiB] |
Changelog
by Dominik Mierzejewski (2014-11-30):
- update to latest 2.4 branch snapshot
- fix build against current blacs/scalapack
- mpich2 got renamed to mpich
- fix description (cp2k doesn't implement Car-Parinello Molecular Dynamics)
|
| cp2k-common-2.4-3.20140428svn13818.el6.x86_64
[17 KiB] |
Changelog
by Dominik Mierzejewski (2014-11-30):
- update to latest 2.4 branch snapshot
- fix build against current blacs/scalapack
- mpich2 got renamed to mpich
- fix description (cp2k doesn't implement Car-Parinello Molecular Dynamics)
|