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Started building parser for geometry optimization.
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- parser/parser-cp2k/cp2kparser/tools/xmlpreparser.py 12 additions, 12 deletionsparser/parser-cp2k/cp2kparser/tools/xmlpreparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/commonmatcher.py 262 additions, 11 deletions.../parser-cp2k/cp2kparser/versions/cp2k262/commonmatcher.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py 81 additions, 43 deletions...r/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py 9 additions, 7 deletions...er/parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py 7 additions, 253 deletions...ser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py
- parser/parser-cp2k/cp2kparser/versions/versionsetup.py 4 additions, 0 deletionsparser/parser-cp2k/cp2kparser/versions/versionsetup.py
- test/examples/energy_force/si_bulk8.inp 0 additions, 0 deletionstest/examples/energy_force/si_bulk8.inp
- test/examples/energy_force/si_bulk8.out 19 additions, 19 deletionstest/examples/energy_force/si_bulk8.out
- test/examples/geo_opt/H2O-pos-1.xyz 60 additions, 0 deletionstest/examples/geo_opt/H2O-pos-1.xyz
- test/examples/geo_opt/geo_opt.inp 80 additions, 0 deletionstest/examples/geo_opt/geo_opt.inp
- test/examples/geo_opt/unittest.out 30642 additions, 0 deletionstest/examples/geo_opt/unittest.out
- test/unittests/cp2k_2.6.2/errors/unknown_input_keyword/si_bulk8.inp 64 additions, 0 deletions...ests/cp2k_2.6.2/errors/unknown_input_keyword/si_bulk8.inp
- test/unittests/cp2k_2.6.2/errors/unknown_input_keyword/unittest.out 1204 additions, 0 deletions...ests/cp2k_2.6.2/errors/unknown_input_keyword/unittest.out
- test/unittests/cp2k_2.6.2/errors/unknown_input_section/si_bulk8.inp 65 additions, 0 deletions...ests/cp2k_2.6.2/errors/unknown_input_section/si_bulk8.inp
- test/unittests/cp2k_2.6.2/errors/unknown_input_section/unittest.out 1204 additions, 0 deletions...ests/cp2k_2.6.2/errors/unknown_input_section/unittest.out
- test/unittests/cp2k_2.6.2/errors/unknown_input_section_parameter/si_bulk8.inp 63 additions, 0 deletions...2.6.2/errors/unknown_input_section_parameter/si_bulk8.inp
- test/unittests/cp2k_2.6.2/errors/unknown_input_section_parameter/unittest.out 1204 additions, 0 deletions...2.6.2/errors/unknown_input_section_parameter/unittest.out
- test/unittests/cp2k_2.6.2/geo_opt/geo_opt.inp 1 addition, 1 deletiontest/unittests/cp2k_2.6.2/geo_opt/geo_opt.inp
- test/unittests/cp2k_2.6.2/input_preprocessing/include/global.inc 5 additions, 0 deletions...ittests/cp2k_2.6.2/input_preprocessing/include/global.inc
- test/unittests/cp2k_2.6.2/input_preprocessing/include/main.inp 45 additions, 0 deletions...unittests/cp2k_2.6.2/input_preprocessing/include/main.inp
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