Code

Bugfix: incorrect name for gradients#32

Code

Merged

seamm merged 3 commits intomainmolssi-seamm/psi4_step:mainfrom devmolssi-seamm/psi4_step:devCopy head branch name to clipboardMay 23, 2024

+29-19

Commits

Commits on May 23, 2024

• Removed import, etc. to make pass black, since this code is not used at all.

  paulsaxe

  committed
  8d1b3b0

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• Fixed bug in naming of gradients, and units for E and dE

  paulsaxe

  committed
  3015608

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• Fixed bug in naming of gradients, and units for E and dE

  paulsaxe

  committed
  d5fc55b

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