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Started implementing geoopt parsing.
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- parser/parser-cpmd/cpmdparser/parser.py 41 additions, 10 deletionsparser/parser-cpmd/cpmdparser/parser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/commonparser.py 99 additions, 0 deletions...er/parser-cpmd/cpmdparser/versions/cpmd41/commonparser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/geooptparser.py 0 additions, 0 deletions...er/parser-cpmd/cpmdparser/versions/cpmd41/geooptparser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/singlepointparser.py 5 additions, 74 deletions...rser-cpmd/cpmdparser/versions/cpmd41/singlepointparser.py
- src/main/scala/eu/nomad_lab/parsers/CpmdParser.scala 2 additions, 1 deletionsrc/main/scala/eu/nomad_lab/parsers/CpmdParser.scala
- test/unittests/cpmd_4.1/geo_opt/GEOMETRY 2 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/GEOMETRY
- test/unittests/cpmd_4.1/geo_opt/GEOMETRY.xyz 4 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/GEOMETRY.xyz
- test/unittests/cpmd_4.1/geo_opt/GEO_OPT.xyz 20 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/GEO_OPT.xyz
- test/unittests/cpmd_4.1/geo_opt/HESSIAN 7 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/HESSIAN
- test/unittests/cpmd_4.1/geo_opt/LATEST 2 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/LATEST
- test/unittests/cpmd_4.1/geo_opt/RESTART.1 0 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/RESTART.1
- test/unittests/cpmd_4.1/geo_opt/input.inp 35 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/input.inp
- test/unittests/cpmd_4.1/geo_opt/output.out 397 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/output.out
- test/unittests/cpmd_4.1/geo_opt/run.sh 3 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/run.sh
- test/unittests/cpmd_4.1/run_tests.py 1 addition, 18 deletionstest/unittests/cpmd_4.1/run_tests.py
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