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Quantum chemistry and solid state physics software package
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onepartho/cp2k
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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 -- For more information go to: http://cp2k.org
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Quantum chemistry and solid state physics software package
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- Fortran 97.9%
- Python 0.7%
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- C 0.1%
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