Published June 14, 2022
| Version v1.4.3
Software
Open
cyllab/ccinput: v1.4.3
Description
Commits
- 37728f1: Added tests to ensure that specifications are passed to all input files (Raphaël Robidas)
- ef52249: Began command line xtb support (Raphaël Robidas)
- 272f368: Added equivalence detection for custom basis sets from the BSE (fixes #1) (Raphaël Robidas)
- 79129c5: Fixed missing column title in the documentation (Raphaël Robidas)
- 53dfd23: Added precision to the documentation (Raphaël Robidas)
- 67b9d24: Allowed xtb input files to be written (Raphaël Robidas)
- c0e749f: Added Hessian calculation by default for TS optimizations with ORCA (Raphaël Robidas)
Files
cyllab/ccinput-v1.4.3.zip
Files
(118.5 kB)
| Name | Size | Download all |
|---|---|---|
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md5:9000ba39df82d0f2449af7024183cbff
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Additional details
Related works
- Is supplement to
- https://github.com/cyllab/ccinput/tree/v1.4.3 (URL)