Ccinput

Commits
- 30bab85: Added the list of contributors in the README (Raphaël Robidas)
- a55d031: Added concerted xtb scans (Raphaël Robidas)

Commits
- 33788d8: Added additional support for Psi4 (Laura Granda) [12](https://github.com/cyllab/ccinput/pull/12)
- 190cc74: Added specification basic check (Laura Granda) [12](https://github.com/cyllab/ccinput/pull/12)
- 03d02fc: Code style standardization (Lint Action)
- a34a9c3: Fixed small typos (Zarko Ivkovic) [14](https://github.com/cyllab/ccinput/pull/14)
- f11d258: Changed constraints implementation and added security for scans attempts (Zarko Ivkovic) [14](https://github.com/cyllab/ccinput/pull/14)
- 89c4308: Merge branch 'main' into nwchem (zarkoivkovicc) [14](https://github.com/cyllab/ccinput/pull/14)
- 760975d: Code style standardization (Lint Action)
- 7e7c1ac: MP2 and CC support + NEB Calculaton type (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- 0971e61: CASSCF calculations and density fitting (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- a3b3d30: Extensive tests added for all features (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- 7954e00: Updated documentation with nwchem info (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- 2498df4: Fixed typos and cleaned up code (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- bb85e9f: Fixed everything expect specification syntax (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- 736d75b: Alternative specification syntax nwchem (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- a6eb8e8: Additional check for specs (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- 86ce756: Also print solvation output file; Check for existance of radii (Zarko Ivkovic) [16](https://github.com/cyllab/ccinput/pull/16)
- d38ef0c: Code style standardization (Lint Action)
- 529d38a: Fixed docs and minor tweaks (Raphaël Robidas)

Commits
- 8dd25e0: nwchem tests (Zarko Ivkovic) [11](https://github.com/cyllab/ccinput/pull/11)
- 82755f9: Merge branch 'main' into nwchem (zarkoivkovicc) [11](https://github.com/cyllab/ccinput/pull/11)
- 9fc85f2: Fixed changes (Zarko Ivkovic) [11](https://github.com/cyllab/ccinput/pull/11)
- 6eaed47: Code style standardization (Lint Action)

Commits
- 343417e: First commit with nwchem (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- 059d7b6: Basic HF SP calculations (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- d1b0141: HF & DFT - SP and basis_sets 0.5 (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- ee2371f: HF & DFT * functionals & dispersion * (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- 3e1b5c2: HF & DFT essential calculations 1.0 (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- 5ea0f3d: Fixed exchange-correlation functionals (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- 31cee20: Support for additional commands (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- b743e97: First pull request, HF & DFT essential calculations (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- f43c724: HF & DFT fixed, still no tests :( (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- 4eb2d39: HF & DFT fixed, still no tests :( no print (Zarko Ivkovic) [10](https://github.com/cyllab/ccinput/pull/10)
- 9176a44: Code style standardization (Lint Action)

Commits
- 34be971: Added sanity tests and fixed a bug with multiple custom basis sets in ORCA (Raphaël Robidas)

What's Changed
* Initial Q-Chem input generator by berquist in https://github.com/cyllab/ccinput/pull/8
* Added basic support for psi4 by lauragranmar in https://github.com/cyllab/ccinput/pull/9

New Contributors
* berquist made their first contribution in https://github.com/cyllab/ccinput/pull/8
* lauragranmar made their first contribution in https://github.com/cyllab/ccinput/pull/9

**Full Changelog**: https://github.com/cyllab/ccinput/compare/v1.7.2...v1.8.0