Ccinput

Commits
- 669f0f3: Updated the documentation (Raphaël Robidas)
- bcdd713: Minor improvements to basis set data (Raphaël Robidas)
- 2c38703: Added option to parse charge and multiplicity from file names (Raphaël Robidas)
- 8049ecb: Added explicit memory specification in ORCA input files (Raphaël Robidas)
- f2d1669: Corrected name handling (Raphaël Robidas)

Commits
- d711598: Added 'auto' as initial constraint value to use the current value (Raphaël Robidas)
- 574f100: Added official support for auxiliary basis sets, MP2 and CC methods (Raphaël Robidas)

Commits
- 85569a9: Fixed xtb TS using ORCA (Raphaël Robidas)

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)

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)