Automatized changes to license and copyright information

See merge request nomad-lab/parser-gulp!1

we need to distinguish between primitive and non-primitive cell in order not to write the same metadata twice, which is an error

slightly better handling of labels in gulp.  Fix bug which would yield incomplete positions when constructing geometries from spacegroup and multiple differently labeled atoms had the same position.  Also, fixed an issue where the cell parameters in some cases would be obtained from the primitive cell instead of the full one.

fix parsing of non-trivial atom labels with space groups.  Parse charges and two-body force field parameters

parse energy contributions.  Ability to generate metadata json for energy contributions.  Take care of tricky case where geometry is specified by spacegroup first, and later Cartesianly.  Be more robust in terms of whether GULP writes Cartesian or cartesian.  Parse main GULP calculation modes as specified in input.