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TCutility v0.10.3
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@YHordijk YHordijk released this 19 Feb 12:12
· 520 commits to main since this release
v0.10.3
eb18644
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Learn about vigilant mode.

What's Changed

  • Added the symmetry method to ADFJob by @YHordijk in #124
  • Removing ams.log now by default before starting a job by @YHordijk in #130
  • ADFFragmentJob will now error if an atom is present in multiple fragments by @YHordijk in #128
  • ADF will now pretend the job succeeded if the SCF failed if iterations are set to 0 or 1 by @YHordijk in #127
  • Removed the quality keyword for geometry convergence criteria by @YHordijk in #133
  • Running job fatal status is set to False by @YHordijk in #136

Full Changelog: v0.10.2...v0.10.3

Contributors

YHordijk
Assets 2
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