eljost/pysisyphus: Multiwfn logging
Multiwfn calls are now logged Default commands are used when checking for the availability of software (Multiwfn, Jmol, .) Added TD-DFT optimization example using ORCA
| Published in: | Physics World |
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| Main Author: | |
| Format: | Other/Unknown Material |
| Language: | unknown |
| Published: |
Zenodo
2020
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| Subjects: | |
| Online Access: | https://doi.org/10.5281/zenodo.3988961 |
| Summary: | Multiwfn calls are now logged Default commands are used when checking for the availability of software (Multiwfn, Jmol, .) Added TD-DFT optimization example using ORCA |
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