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Published September 10, 2020 | Version v0.0.8
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qzhu2017/PyXtal: PyXtal v0.0.8

  • 1. UNLV Dept. of Physics & Astronomy

Description

  • Improved the molecular orientation function
  • added an option to check the starting orientation of the molecule
  • added the GULP interfaces for simple atomic crystals

Files

qzhu2017/PyXtal-v0.0.8.zip

Files (5.7 MB)

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