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Releases: JaGeo/MolecularToolbox

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Molecular-Toolbox

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@JaGeo JaGeo released this 30 Nov 15:33
1.0.2
33c1c18
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Learn about vigilant mode.
  • RMS of van de Streek and Neumann is included
  • Further safety checks are included in the RMS calculation
  • ADP conversion starting from Ucart is included
Assets 2
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@JaGeo JaGeo released this 29 Nov 14:41
1.0.1
199b62e

Compatible with Phonopy 1.11.2. Original release in September 2016.

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@JaGeo JaGeo released this 29 Nov 13:52
1.0.0
b44f382

Originally released in February 2016

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