7 lines
371 B
Text
7 lines
371 B
Text
hiPhive is a tool for efficiently extracting high-order force constants from
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atomistic simulations, most commonly density functional theory calculations.
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It has been implemented in the form of a Python library, which allows it to be
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readily integrated with many first-principles codes and analysis tools
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accessible in Python.
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WWW: https://hiphive.materialsmodeling.org/
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