Published July 15, 2023
| Version v1.10.0
Software
Open
cyllab/ccinput: v1.10.0
- 1. Université de Sherbrooke
- 2. Sandia National Laboratories
Description
Commits
- 33788d8: Added additional support for Psi4 (Laura Granda) #12
- 190cc74: Added specification basic check (Laura Granda) #12
- 03d02fc: Code style standardization (Lint Action)
- a34a9c3: Fixed small typos (Zarko Ivkovic) #14
- f11d258: Changed constraints implementation and added security for scans attempts (Zarko Ivkovic) #14
- 89c4308: Merge branch 'main' into nwchem (zarkoivkovicc) #14
- 760975d: Code style standardization (Lint Action)
- 7e7c1ac: MP2 and CC support + NEB Calculaton type (Zarko Ivkovic) #16
- 0971e61: CASSCF calculations and density fitting (Zarko Ivkovic) #16
- a3b3d30: Extensive tests added for all features (Zarko Ivkovic) #16
- 7954e00: Updated documentation with nwchem info (Zarko Ivkovic) #16
- 2498df4: Fixed typos and cleaned up code (Zarko Ivkovic) #16
- bb85e9f: Fixed everything expect specification syntax (Zarko Ivkovic) #16
- 736d75b: Alternative specification syntax nwchem (Zarko Ivkovic) #16
- a6eb8e8: Additional check for specs (Zarko Ivkovic) #16
- 86ce756: Also print solvation output file; Check for existance of radii (Zarko Ivkovic) #16
- d38ef0c: Code style standardization (Lint Action)
- 529d38a: Fixed docs and minor tweaks (Raphaël Robidas)
Files
cyllab/ccinput-v1.10.0.zip
Files
(158.6 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:1c8629c7b12ad7a2978984c21cac7c56
|
158.6 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/cyllab/ccinput/tree/v1.10.0 (URL)