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: | |
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| Format: | Software |
| Language: | unknown |
| Published: |
Zenodo
2020
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.5281/zenodo.3988961 https://zenodo.org/record/3988961 |
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ftdatacite:10.5281/zenodo.3988961 |
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openpolar |
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ftdatacite:10.5281/zenodo.3988961 2023-07-23T04:21:14+02:00 eljost/pysisyphus: Multiwfn logging ... Eljost 2020 https://dx.doi.org/10.5281/zenodo.3988961 https://zenodo.org/record/3988961 unknown Zenodo https://github.com/eljost/pysisyphus/tree/0.4.3.post1 https://github.com/eljost/pysisyphus/tree/0.4.3.post1 https://dx.doi.org/10.5281/zenodo.3661445 Open Access info:eu-repo/semantics/openAccess Software article SoftwareSourceCode 2020 ftdatacite https://doi.org/10.5281/zenodo.398896110.5281/zenodo.3661445 2023-07-03T18:43:14Z 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 ... Software Orca DataCite Metadata Store (German National Library of Science and Technology) |
| institution |
Open Polar |
| collection |
DataCite Metadata Store (German National Library of Science and Technology) |
| op_collection_id |
ftdatacite |
| language |
unknown |
| description |
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 ... |
| format |
Software |
| author |
Eljost |
| spellingShingle |
Eljost eljost/pysisyphus: Multiwfn logging ... |
| author_facet |
Eljost |
| author_sort |
Eljost |
| title |
eljost/pysisyphus: Multiwfn logging ... |
| title_short |
eljost/pysisyphus: Multiwfn logging ... |
| title_full |
eljost/pysisyphus: Multiwfn logging ... |
| title_fullStr |
eljost/pysisyphus: Multiwfn logging ... |
| title_full_unstemmed |
eljost/pysisyphus: Multiwfn logging ... |
| title_sort |
eljost/pysisyphus: multiwfn logging ... |
| publisher |
Zenodo |
| publishDate |
2020 |
| url |
https://dx.doi.org/10.5281/zenodo.3988961 https://zenodo.org/record/3988961 |
| genre |
Orca |
| genre_facet |
Orca |
| op_relation |
https://github.com/eljost/pysisyphus/tree/0.4.3.post1 https://github.com/eljost/pysisyphus/tree/0.4.3.post1 https://dx.doi.org/10.5281/zenodo.3661445 |
| op_rights |
Open Access info:eu-repo/semantics/openAccess |
| op_doi |
https://doi.org/10.5281/zenodo.398896110.5281/zenodo.3661445 |
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1772186576301850624 |