Ccinput

Commits
- 617df1e: Fixed constrained CREST calculation with no file name (Raphaël Robidas)
- 0e9811e: Minor fix in the documentation (Raphaël Robidas)
- b61e23a: Added error for unsupported solvation options in xtb (Raphaël Robidas)
- e457d9f: Added verification of the availability of the requested calculation type (Raphaël Robidas)

Commits
- 892fe7a: Fixed xtb command creation when using only raw xyz (Raphaël Robidas)
- 1373121: Added confirmed specifications for xtb (Raphaël Robidas)
- b6e1967: Fixed G16 confirmed specifications and alternate specification syntax (Raphaël Robidas)

Commits
- 3904b0e: Adopted the Black code style (Raphaël Robidas)
- 5260150: Added automated Black linter (Raphaël Robidas)
- e8f8e36: Code style standardization (Lint Action)
- 03b05b4: Updated the contributing guidelines considering automated linting (Raphaël Robidas)
- 9588bcb: Added support for the xTB suite (Raphaël Robidas)
- f7e8be7: Added back CodeCov integration (Raphaël Robidas)
- 0c1b73c: Fixed command line usage of xtb (Raphaël Robidas)
- f0f1cad: Improved xtb test coverage (Raphaël Robidas)
- e1d327a: Fixed confirmed specifications for Gaussian (Raphaël Robidas)
- 9f9f7ad: Made the various indices (methods, solvents, calculation types...) simpler and more error-tolerant (Raphaël Robidas)
- 76baf6a: Basic documentation for xtb support (Raphaël Robidas)

Commits
- e379430: Fix for CalcUS using ccinput + convenient synonyms (Raphaël Robidas)
- 850320f: Prevented the input and output files from being saved in presets (Raphaël Robidas)
- 51a645f: Added more tests for presets (Raphaël Robidas)
- ea34a50: Specifications are appended to preset specifications instead of replacing them (Raphaël Robidas)

Commits
- 6aa441e: Fixed installation dependencies and exception f-string (Raphaël Robidas)
- 01e3d6f: Fixed behaviour of the -o option when using an input file and/or a custom calculation name (Raphaël Robidas)

Commits
- 8685cd0: Removed the dash symbol and parentheses from absolute basis sets (Raphaël Robidas)
- 845ce37: Updated the Zenodo badge to the general DOI instead of the version-specific (Raphaël Robidas)
- 3716809: Added tests to verify that constraints are provided for constrained optimisations (Raphaël Robidas)
- 6891ed6: Added missing import (Raphaël Robidas)
- 2050ab3: Added documentation for specifications (Raphaël Robidas)
- 3db2995: Fixed docs (Raphaël Robidas)
- 8e241e2: Removed logging.py due to potentially problematic name and tiny size (Raphaël Robidas)
- 3226008: Added presets, related tests and documentation (Raphaël Robidas)
- 42a1a85: Prevented SCRF options in Gaussian from being considered as specification (Raphaël Robidas)