globus-labs / faster-molecular-hessians

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main: 97%

LAST BUILD ON BRANCH add_mopac

branch: add_mopac

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• add_mopac
• add-colmena
• add_ci
• add_jacobian
• add_mbtr
• approx
• aurora
• baseline-sampling
• big-test
• clear-nbs
• deploy-hpc
• exachem
• internal-coord
• main
• mvn-hessian
• notebook_refactor
• papermill
• per-element
• scale-vibrations
• separate-geom
• simple-uniform
• soap_gpy
• theta
• uhf
• vibrations

Build # 6383754830

Build Type

Pull #13

github

Committed by WardLT

Commit Message

Allow use of MOPAC in proof of concept

Pull Request Pull Request #13: Allow use of MOPAC in proof of concept

Run Details

101 of 103 relevant lines covered (98.06%)

0.98 hits per line