Code

Update dev/gp3_ipea to latest state#116

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Merged

marcelmbn merged 9 commits intogrimme-lab:dev/gp3_ipeagrimme-lab/MindlessGen:dev/gp3_ipeafrom marcelmbn:dev/gp3_ipeamarcelmbn/MindlessGen:dev/gp3_ipeaCopy head branch name to clipboardJan 29, 2025

+1,096-425

Commits

Commits on Jan 17, 2025

• Added support for Turbomole (grimme-lab#101)

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  jonathan-schoeps

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  marcelmbn

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  89a3d58

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Commits on Jan 20, 2025

• New parallelization (grimme-lab#108)

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  lmseidler

  and

  marcelmbn

  authored
  7364159

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Commits on Jan 21, 2025

• update environment.yaml and format file (grimme-lab#110)

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  marcelmbn

  authored
  16933c5

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Commits on Jan 24, 2025

• Update/constant file (grimme-lab#112)

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  jonathan-schoeps

  and

  marcelmbn

  authored
  11f7393

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Commits on Jan 28, 2025

• Dev/sym opt (grimme-lab#111)

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  jonathan-schoeps

  and

  marcelmbn

  authored
  e986bfc

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• Merge branch 'main' into dev/gp3_ipea

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  marcelmbn

  committed
  8919cad

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• write monomer to file

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  marcelmbn

  committed
  081d5c4

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Commits on Jan 29, 2025

• add check for non-convergence in TURBOMOLE interface (grimme-lab#115)

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  marcelmbn

  authored
  7936e47

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• Merge branch 'main' into dev/gp3_ipea

  marcelmbn

  committed
  bd6198f

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