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Bugfix: fixed more issues with heat flux and Class 2 forcefields.
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@seamm seamm released this 17 Jun 01:41
· 33 commits to main since this release
2023.6.17
9ecbda5
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Learn about vigilant mode.
  • Avoided using centroid/stress/atom for heat flux in standard NVE, NVT, ... dynamics
    with Class 2 forcefield.
  • Added option to not use centroid/stress/atom for any forcefield.
Assets 2