cyllab/ccinput: v1.5.2 ...
Commits b116647: Improved/fixed functional data (Raphaël Robidas) 99b4ca3: Replaced explicit custom basis sets with builtin basis sets in ORCA when available (Raphaël Robidas) e774b95: Fixed formatting issue with C auxiliary basis sets and solvation in ORCA (Raphaël Robidas) 9f1c8e0: Updated the REA...
| Main Authors: | , |
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| Format: | Software |
| Language: | unknown |
| Published: |
Zenodo
2022
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.5281/zenodo.7090943 https://zenodo.org/record/7090943 |
| Summary: | Commits b116647: Improved/fixed functional data (Raphaël Robidas) 99b4ca3: Replaced explicit custom basis sets with builtin basis sets in ORCA when available (Raphaël Robidas) e774b95: Fixed formatting issue with C auxiliary basis sets and solvation in ORCA (Raphaël Robidas) 9f1c8e0: Updated the README and the documentation (Raphaël Robidas) ... |
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