qp.analyze¶
Post-processing analysis with Multiwfn and job status tracking.
Submodules
Check QM job status and classify failure modes. |
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Process Molden files for Multiwfn analysis. |
|
Compute atomic charges and dipole moments using Multiwfn. |
Post-processing analysis with Multiwfn and job status tracking.
Submodules
Check QM job status and classify failure modes. |
|
Process Molden files for Multiwfn analysis. |
|
Compute atomic charges and dipole moments using Multiwfn. |