-
- Downloads
Adopted implementation for nomad-fairdi.
Showing
- .gitignore 4 additions, 57 deletions.gitignore
- molcasparser/__init__.py 1 addition, 0 deletionsmolcasparser/__init__.py
- molcasparser/functionals.py 1 addition, 1 deletionmolcasparser/functionals.py
- molcasparser/main.py 53 additions, 28 deletionsmolcasparser/main.py
- parser/parser-molcas/generate_scala_testcode.py 0 additions, 54 deletionsparser/parser-molcas/generate_scala_testcode.py
- parser/parser-molcas/nomad_meta_info 0 additions, 1 deletionparser/parser-molcas/nomad_meta_info
- parser/parser-molcas/runtests.py 0 additions, 48 deletionsparser/parser-molcas/runtests.py
- parser/parser-molcas/setup_paths.py 0 additions, 22 deletionsparser/parser-molcas/setup_paths.py
- parser/parser-molcas/test 0 additions, 1 deletionparser/parser-molcas/test
- pysrc 0 additions, 1 deletionpysrc
- setup.py 33 additions, 0 deletionssetup.py
- src/main/scala/eu/nomad_lab/parsers/MolcasParser.scala 0 additions, 60 deletionssrc/main/scala/eu/nomad_lab/parsers/MolcasParser.scala
- src/test/scala/eu/nomad_lab/parsers/MolcasParserSpec.scala 0 additions, 594 deletionssrc/test/scala/eu/nomad_lab/parsers/MolcasParserSpec.scala
- tests/.gitignore 0 additions, 0 deletionstests/.gitignore
- tests/inputs/test000.input 0 additions, 0 deletionstests/inputs/test000.input
- tests/inputs/test001.input 0 additions, 0 deletionstests/inputs/test001.input
- tests/inputs/test002.input 0 additions, 0 deletionstests/inputs/test002.input
- tests/inputs/test003.input 0 additions, 0 deletionstests/inputs/test003.input
- tests/inputs/test004.input 0 additions, 0 deletionstests/inputs/test004.input
- tests/inputs/test005.input 0 additions, 0 deletionstests/inputs/test005.input
Loading
Please register or sign in to comment