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Draft: IO functionality for fourth-order force constants

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Open Junsoo Park requested to merge jsyony37/hiphive:fc4 into master Apr 27, 2021
  • Overview 7
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  • Changes 6

Description

Introduced capabilities to read and write 4th order force constants in phonopy/phono3py and shengBTE formats.

Summary of changes

  • updated force_constants.py, input_output/phonopy.py, input_output/shengBTE.py
  • updated the corresponding unit tests
Edited Jan 21, 2022 by Paul Erhart
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Source branch: fc4