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Modified the parser to use a more uniform project structure, added an...
Modified the parser to use a more uniform project structure, added an installation script, added a couple more regtests, fixed issue with undeclared variable and array sizing.
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- .gitignore 3 additions, 0 deletions.gitignore
- README.md 40 additions, 11 deletionsREADME.md
- parser/parser-vasp/vaspparser/__init__.py 1 addition, 0 deletionsparser/parser-vasp/vaspparser/__init__.py
- parser/parser-vasp/vaspparser/parser.py 3 additions, 7 deletionsparser/parser-vasp/vaspparser/parser.py
- parser/parser-vasp/vaspparser/parser_vasp.py 0 additions, 0 deletionsparser/parser-vasp/vaspparser/parser_vasp.py
- parser/parser-vasp/vaspparser/parser_vasprun.py 5 additions, 10 deletionsparser/parser-vasp/vaspparser/parser_vasprun.py
- parser/parser-vasp/vaspparser/scalainterface.py 17 additions, 0 deletionsparser/parser-vasp/vaspparser/scalainterface.py
- parser/parser-vasp/vaspparser/setup_paths.py 0 additions, 0 deletionsparser/parser-vasp/vaspparser/setup_paths.py
- parser/parser-vasp/vaspparser/vaspmainparser.py 4 additions, 6 deletionsparser/parser-vasp/vaspparser/vaspmainparser.py
- regtests/regtests.py 67 additions, 0 deletionsregtests/regtests.py
- regtests/setup_paths.py 0 additions, 7 deletionsregtests/setup_paths.py
- regtests/vasp/dos/vasprun.xml.static 0 additions, 0 deletionsregtests/vasp/dos/vasprun.xml.static
- setup.py 19 additions, 0 deletionssetup.py
- src/main/scala/eu/nomad_lab/parsers/VaspParser.scala 9 additions, 6 deletionssrc/main/scala/eu/nomad_lab/parsers/VaspParser.scala
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