Adopted implementation for nomad-fairdi.

.gitignore

molcasparser/__init__.py

molcasparser/functionals.py

molcasparser/main.py

parser/parser-molcas/generate_scala_testcode.py

parser/parser-molcas/nomad_meta_info

parser/parser-molcas/runtests.py

parser/parser-molcas/setup_paths.py

parser/parser-molcas/test

pysrc

setup.py

src/main/scala/eu/nomad_lab/parsers/MolcasParser.scala

src/test/scala/eu/nomad_lab/parsers/MolcasParserSpec.scala

tests/.gitignore

tests/inputs/test000.input

tests/inputs/test001.input

tests/inputs/test002.input

tests/inputs/test003.input

tests/inputs/test004.input

tests/inputs/test005.input