Moving keys to toml. Documentation colmpleted. Next step: modify Config class. Config can already read toml file. Cmake installs config file to install dir and exports compile definition with the config file path.

Adding TOML configuration file. The file is used as both the source of the config keys and is also parsed py the python script to generate documentation.

Modified to accept unordered molecules

See merge request s1351949/ta-dah!50

Improving performance of HPO. Lattice param, cohesieve energy and unrelaxed...

See merge request s1351949/ta-dah!49