-
- Downloads
Added parsing of input file if found, added support for more functionals,...
Added parsing of input file if found, added support for more functionals, corrected the formatting of functionals, restructured the package a bit.
Showing
- .gitignore 1 addition, 0 deletions.gitignore
- parser/parser-cp2k/cp2kparser/generic/__init__.py 0 additions, 0 deletionsparser/parser-cp2k/cp2kparser/generic/__init__.py
- parser/parser-cp2k/cp2kparser/generic/baseclasses.py 591 additions, 0 deletionsparser/parser-cp2k/cp2kparser/generic/baseclasses.py
- parser/parser-cp2k/cp2kparser/generic/inputparsing.py 221 additions, 0 deletionsparser/parser-cp2k/cp2kparser/generic/inputparsing.py
- parser/parser-cp2k/cp2kparser/parser.py 52 additions, 0 deletionsparser/parser-cp2k/cp2kparser/parser.py
- parser/parser-cp2k/cp2kparser/tools/xmlpreparser.py 97 additions, 0 deletionsparser/parser-cp2k/cp2kparser/tools/xmlpreparser.py
- parser/parser-cp2k/cp2kparser/versions/__init__.py 0 additions, 0 deletionsparser/parser-cp2k/cp2kparser/versions/__init__.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/__init__.py 0 additions, 0 deletionsparser/parser-cp2k/cp2kparser/versions/cp2k262/__init__.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/input_data/cp2k_input.xml 159130 additions, 0 deletions...p2k/cp2kparser/versions/cp2k262/input_data/cp2k_input.xml
- 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/input_data/references.html 778 additions, 0 deletions...2k/cp2kparser/versions/cp2k262/input_data/references.html
- parser/parser-cp2k/cp2kparser/versions/cp2k262/input_data/units.html 82 additions, 0 deletions...er-cp2k/cp2kparser/versions/cp2k262/input_data/units.html
- parser/parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py 170 additions, 0 deletions...er/parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py
- parser/parser-cp2k/cp2kparser/versions/cp2k262/mainparser.py 346 additions, 0 deletionsparser/parser-cp2k/cp2kparser/versions/cp2k262/mainparser.py
- parser/parser-cp2k/cp2kparser/versions/versionsetup.py 21 additions, 0 deletionsparser/parser-cp2k/cp2kparser/versions/versionsetup.py
- test/unittests/cp2k_2.6.2/XC_functional/b3lyp/unittest.out 375 additions, 0 deletionstest/unittests/cp2k_2.6.2/XC_functional/b3lyp/unittest.out
- test/unittests/cp2k_2.6.2/XC_functional/hcth120/unittest.out 1423 additions, 0 deletionstest/unittests/cp2k_2.6.2/XC_functional/hcth120/unittest.out
- test/unittests/cp2k_2.6.2/XC_functional/olyp/unittest.out 1438 additions, 0 deletionstest/unittests/cp2k_2.6.2/XC_functional/olyp/unittest.out
- test/unittests/cp2k_2.6.2/XC_functional/pbe/unittest.out 1430 additions, 0 deletionstest/unittests/cp2k_2.6.2/XC_functional/pbe/unittest.out
- test/unittests/cp2k_2.6.2/XC_functional/pbe0/unittest.out 368 additions, 0 deletionstest/unittests/cp2k_2.6.2/XC_functional/pbe0/unittest.out
Loading
Please register or sign in to comment