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 ...
Main Author: | |
---|---|
Format: | Software |
Language: | unknown |
Published: |
Zenodo
2020
|
Subjects: | |
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 ... |
---|