GitHub - thu-scc/cp2k: Quantum chemistry and solid state physics software package

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Quantum chemistry and solid state physics software package

www.cp2k.org

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Name		Name	Last commit message	Last commit date
Latest commit History 17,217 Commits
arch		arch
data		data
makefiles		makefiles
src		src
tests		tests
tools		tools
.dockerignore		.dockerignore
.gitignore		.gitignore
COPYRIGHT		COPYRIGHT
INSTALL		INSTALL
README		README
REVISION		REVISION

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This is the CP2K software suite

 * COPYRIGHT: The license of under which CP2K can be distributed
 * INSTALL: How to set up the program (mainly how to compile it)
 * README: This file
 * arch: Definitions for different architectures/compilers
 * makefiles: The one and only Makefile
 * src: The source code
 * tests: Inputs for regression tests
 * tools: Mixed collection of useful scripts related to cp2k
 * data: Simulation parameters e.g. basis sets and pseudopotentials

Additional directories created during build process:
 * lib: Libraries built during compilation
 * obj: Objects and other intermediate compilation-time files
 * exe: Where the executables will be located

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For more information go to: https://www.cp2k.org