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 ...
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| Format: | Software |
| Language: | unknown |
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Zenodo
2020
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| Online Access: | https://dx.doi.org/10.5281/zenodo.3988961 https://zenodo.org/record/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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