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XtalOpt v14.0.1

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@hajinazar hajinazar released this 19 Jun 16:28
· 18 commits to master since this release
v14.0.1
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Learn about vigilant mode.

This is a quick patch to the version 14.0.0 to:

  • Fix the similarity check so that structures of different compositions won't be ever marked as similar

Also, it includes:

  • Updated vasp_uip.py: fixed post-opt force check and added new UIP templates: MatterSim, Orb, SevenNet
  • Updated template of xtalopt.in in schemes
  • Fixed .gitignore file to allow "build..." scripts
Assets 7
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