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Releases: MolSSI/QCEngine

v0.3.0

14 Aug 22:30
fcb2a9e
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Notes:

  • Adds geometric optimization procedure.
  • load_options can be read from string.

v0.2.1

21 Jun 14:24
0cdad20
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Notes:

  • Now uses physical core count for nthread logic (prevents hyperthreading).

v0.2.0 release

15 May 18:37
e04da22
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Notes:

  • Added automatic memory and thread parameterization through auto flags.
  • Adds support for Psi4 v1.1, v1.2rc2
  • Updates JSON support to v1 of the QC Schema.