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PyXtal v0.1.0
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@qzhu2017 qzhu2017 released this 20 Oct 00:19
· 1129 commits to master since this release
v0.1.0
98d94c4
  • Switch the travis support to GitHub
  • constrain the molecular center to the unit cell when exporting the structure to ASE/Pymatgen
  • add the reading force function to the gulp calculator.
Assets 2
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