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cp2k

3.0 Stars (2)
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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.

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    installation on linux is so hard. why it dont have a good make file for example with ifort and mpich.i cant complie it at all and just use the ubuntu deb file

    Posted 02/24/2016
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Additional Project Details

Registered

2011-10-24

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