| Name : cp2k-openmpi
| |
| Version : 2024.1
| Vendor : Fedora Project
|
| Release : 5.fc40
| Date : 2024-04-24 11:55:11
|
| Group : Unspecified
| Source RPM : cp2k-2024.1-5.fc40.src.rpm
|
| Size : 58.33 MB
| |
| Packager : Fedora Project
| |
| Summary : Molecular simulations software - openmpi version
|
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 parallel single- and multi-threaded versions
using OpenMPI.
|
RPM found in directory: /vol/rzm3/linux-fedora-buffet/fedora/linux/updates/40/Everything/x86_64/Packages/c |
