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Nano-CAT 0.2.4 #20

Merged
merged 11 commits into from
Oct 21, 2019
Merged

Nano-CAT 0.2.4 #20

merged 11 commits into from
Oct 21, 2019

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@BvB93 BvB93 commented Oct 21, 2019

  • Custom Job types and Job Settings can now be specified for the ligand
    Activation Strain workflow.
  • Removed CRSJob() and CRSResults(); import them from PLAMS instead.
  • Import assertions from AssertionLib rather than CAT.
  • WiP: Introduction of a new CAT template system (WorkFlow()).

@BvB93 BvB93 added the enhancement New feature or request label Oct 21, 2019
@BvB93 BvB93 self-assigned this Oct 21, 2019
@BvB93 BvB93 merged commit 2e8c6ce into master Oct 21, 2019
@BvB93 BvB93 mentioned this pull request Oct 21, 2019
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