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bad89f73

Commit bad89f73 authored Oct 18, 2017 by Lauri Himanen

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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.

parent c4e7b25e

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.gitignore 3 additions, 0 deletions

.gitignore
README.md 40 additions, 11 deletions

README.md
parser/parser-vasp/vaspparser/__init__.py 1 addition, 0 deletions

parser/parser-vasp/vaspparser/__init__.py
parser/parser-vasp/vaspparser/parser.py 3 additions, 7 deletions

parser/parser-vasp/vaspparser/parser.py
parser/parser-vasp/vaspparser/parser_vasp.py 0 additions, 0 deletions

parser/parser-vasp/vaspparser/parser_vasp.py
parser/parser-vasp/vaspparser/parser_vasprun.py 5 additions, 10 deletions

parser/parser-vasp/vaspparser/parser_vasprun.py
parser/parser-vasp/vaspparser/scalainterface.py 17 additions, 0 deletions

parser/parser-vasp/vaspparser/scalainterface.py
parser/parser-vasp/vaspparser/setup_paths.py 0 additions, 0 deletions

parser/parser-vasp/vaspparser/setup_paths.py
parser/parser-vasp/vaspparser/vaspmainparser.py 4 additions, 6 deletions

parser/parser-vasp/vaspparser/vaspmainparser.py
regtests/regtests.py 67 additions, 0 deletions

regtests/regtests.py
regtests/setup_paths.py 0 additions, 7 deletions

regtests/setup_paths.py
regtests/vasp/dos/vasprun.xml.static 0 additions, 0 deletions

regtests/vasp/dos/vasprun.xml.static
setup.py 19 additions, 0 deletions

setup.py
src/main/scala/eu/nomad_lab/parsers/VaspParser.scala 9 additions, 6 deletions

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

with 168 additions and 47 deletions

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