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5 search results found
Cp2k
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722
Quantum chemistry and solid state physics software package
Gptchem
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162
Pbcpy
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16
Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy
Examples
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9
Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020
Hetbuilder
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6
Builds 2D heterostructures via coincidence lattice theory.
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1-5 of 5 search results
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