Hi there,
we have installed a new software:
capello@login2:~$ module spider CP2K/8.1
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CP2K: CP2K/8.1
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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.
You will need to load all module(s) on any one of the lines below before the "CP2K/
8.1" module is available to load.
GCC/10.2.0 OpenMPI/4.0.5
Help:
Description
===========
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomi
stic and molecular
simulations of solid state, liquid, molecular and biological systems. It provide
s 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.
More information
================
- Homepage: https://www.cp2k.org/
capello@login2:~$
Thx, bye,
Luca