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Fixed bugs in the atomic kind labels, added some new basis set information.
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- parser/parser-cp2k/cp2kparser/generic/inputparsing.py 3 additions, 0 deletionsparser/parser-cp2k/cp2kparser/generic/inputparsing.py
- parser/parser-cp2k/cp2kparser/parser.py 2 additions, 2 deletionsparser/parser-cp2k/cp2kparser/parser.py
- parser/parser-cp2k/cp2kparser/tools/xmlpreparser.py 31 additions, 10 deletionsparser/parser-cp2k/cp2kparser/tools/xmlpreparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/commonparser.py 157 additions, 34 deletions...r/parser-cp2k/cp2kparser/versions/cp2k262/commonparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py 2 additions, 1 deletion...r/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/input_data/cp2k_input_tree.pickle 0 additions, 0 deletions...parser/versions/cp2k262/input_data/cp2k_input_tree.pickle
- parser/parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py 11 additions, 6 deletions...er/parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/mdparser.py 1 addition, 0 deletionsparser/parser-cp2k/cp2kparser/versions/cp2k262/mdparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py 1 addition, 0 deletions...ser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py
- test/unittests/cp2k_2.6.2/kinds/Si_bulk8-nonbonded_nl_p0-1.out 22 additions, 0 deletions...unittests/cp2k_2.6.2/kinds/Si_bulk8-nonbonded_nl_p0-1.out
- test/unittests/cp2k_2.6.2/kinds/si_bulk8.inp 69 additions, 0 deletionstest/unittests/cp2k_2.6.2/kinds/si_bulk8.inp
- test/unittests/cp2k_2.6.2/kinds/unittest.out 1363 additions, 0 deletionstest/unittests/cp2k_2.6.2/kinds/unittest.out
- test/unittests/cp2k_2.6.2/run_tests.py 27 additions, 23 deletionstest/unittests/cp2k_2.6.2/run_tests.py
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