Code

Turbomole V76#43

Code

Merged

davidwaroquiers merged 16 commits intodevelopMatgenix/turbomoleio:developfrom v76_fixesMatgenix/turbomoleio:v76_fixesCopy head branch name to clipboardFeb 23, 2024

+61,861-367

Commits

Commits on Jan 25, 2023

• updates for supporting TM v7.6

  gpetretto

  committed
  5697992

Commits on Jan 27, 2023

• Merge remote-tracking branch 'upstream/develop' into v76

  gpetretto

  committed
  be487a6

• fix linting

  gpetretto

  committed
  88a24ad

Commits on Jan 30, 2023

• Updated version and documentation for 1.3.1 release.

  davidwaroquiers

  committed
  d59bc55

• Update version of isort in .pre-commit-config

  Show description for ccdb34a
  davidwaroquiers

  authored
  ccdb34a

Commits on Jun 13, 2023

• Update pyproject.toml

  Show description for 2e7d026
  davidwaroquiers

  authored
  2e7d026

Commits on Feb 20, 2024

• Update pyproject.toml

  Show description for 121727d
  davidwaroquiers

  authored
  121727d

• Fixed comparison in test_files.

  davidwaroquiers

  committed
  005a29f

• Fixed comparison utility function for tests.

  davidwaroquiers

  committed
  98bb24d

Commits on Feb 21, 2024

• Linting.

  davidwaroquiers

  committed
  f785190

• Fixed import error of plotting function from pymatgen for py3.9+.

  davidwaroquiers

  committed
  7e1eb57

• Updated docs html.

  davidwaroquiers

  committed
  9943c2c

• Merge branch 'release_v1.3.1' into v76_fixes

  davidwaroquiers

  committed
  ceef5ad

• Added tests_config.yaml and TMV6 in list of tests to be performed.

  davidwaroquiers

  committed
  50d800f

• Merge branch 'develop' into v76_fixes

  davidwaroquiers

  committed
  da64ce1

• Updated docs and version.

  davidwaroquiers

  committed
  bc340a8