Code

Csse layout input_data#459

Code

Merged

loriab merged 13 commits intoMolSSI:next2024MolSSI/QCEngine:next2024from loriab:csse_layout_537bloriab/QCEngine:csse_layout_537bCopy head branch name to clipboardNov 28, 2024

+263-156

Commits

Commits on Nov 26, 2024

• nwchem working

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  390ae77

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• openmm

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  a2ee244

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• xtb

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  a9a12a5

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• s-dftd3 and gcp input_data

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  d177730

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• terachem

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  df2eec7

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• qchem mp2d molpro

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  cfb01b9

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• failure_engine and mace

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  86e34ab

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• cfour and torchani

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  47e2e6b

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• input_data: adcc, aimnet2, mopac, rdkit, psi4

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  6614e8b

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• input_data mrchem gamess

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  82b9998

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• missed one

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  904a2d5

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• fix data_layout turbomole

  loriab

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  9723cf3

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• fix basis

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  d22eb37

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