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Search results for crystal dft
crystal
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dft
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2 search results found
Periodic_nbo
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18
Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
Maptool
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7
Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
Mcse
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5
Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures
Pymove
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5
Library and utilities for training volume estimation models with PyMoVE.
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