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XtalOpt v13.0.0

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@hajinazar hajinazar released this 06 May 09:32
· 23 commits to master since this release
v13.0.0
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hajinazar Samad Hajinazar
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Learn about vigilant mode.

XtalOpt v13.0.0 featuring:

  • Multi-objective global optimization for the discovery of novel functional materials,
  • Support for "local queue" runs (i.e., running XtalOpt locally while submitting jobs to a queue),
  • "Scaled volume" option for initiating the minimum and maximum limits of volume per FU,
  • Support for VASP machine-learning OUTCAR files,
  • New termination flags for the CLI runs,
  • Support for a "hyphen-separated list of space group numbers" in the CLI input file,

and ... bug fixes.

More information in the README.md file (source code) and the user manual (XtalOpt website).

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