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Search results for python cp2k
cp2k
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7 search results found
Pycp2k
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53
Python Cp2k interface
Pwtools
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53
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.
Cp2k Input Tools
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36
Fully validating pure-python CP2K input file tools including preprocessing capabilities
Ai2 Kit
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36
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
Cube Toolz
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24
Python tool to manipulate Gaussian cube files
Cp2k Output Tools
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22
Python tools to handle CP2K output files
Asetk
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10
Toolkit using the Atomistic Simulation Environment (ASE)
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