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When a SDF mol file has no explicit hydrogen atoms it adds them before converting it to the adequate format.
Changed the import statement of internal libraries. Added logging to utilities.py
Implemented function to read energies of a set of finished calculations. Implemented auxiliary function equivalent to bash tail. Reformat blank spaces and add TODO lines
Added read_coords function to read coordinates resulting from finished calculations.
Allow to convert, to rdkit.Mol object, xyz files containing multiple geometries, taking into consideration only the last one.
Changed the number of conformers for which to warn the user to be greater than 1 and not 0
Added a warning when a mol object with more than one conformer is parsed to the rdkit_mol_to_ase_atoms function. Extended confs_to_mol_list documentation
Moved confs_to_mol_list function from isolated.py to formats.py module and generalised the calculations functions to be able to work with no matter which kind of calculation
Changed logging of formats.py from info to debug severity level.
Disabled the removal of hydrogens when using rdkit sdl mol file reader. Now, rdkit mol object contain hydrogens explicitly.
Moved logger to a global variable
Changed the read_coords.py module name to formats.py which states more clearly the purpose of the module.