abelcarreras / PyQchem / 147

Builds Branch Commit Type Ran Committer Via Coverage
147 development Fix fchk parser for case when number of MO is not equal to number of basis functions push abelcarreras travis-ci-com pending completion   set done
146 development add test data push abelcarreras travis-ci-com pending completion   set done
144 development Changed cache system to DataBase added py2 compatibility push abelcarreras travis-ci-com pending completion   set done
143 development Changed cache system to DataBase added py2 compatibility push abelcarreras travis-ci-com pending completion   set done
141 development reorganize modules push abelcarreras travis-ci-com pending completion   set done
140 development get charge for structures from pubchem push abelcarreras travis-ci-com pending completion   set done
139 development Add tool to get structure from pubchem push abelcarreras travis-ci-com pending completion   set done
138 development Updated parser fchk to support files with no MO coefficients Updated get_output_from_qchem for better readability. Fchk files now ara always parsed and optionally returned push abelcarreras travis-ci-com pending completion   set done
137 master Update minor pyqchem version push abelcarreras travis-ci-com pending completion   set done
136 development Update minor pyqchem version push abelcarreras travis-ci-com pending completion   set done
135 development Moved examples folder changed manual modified extra_sections in QchemInput push abelcarreras travis-ci-com pending completion   set done
133 development minor update of example diabatization cis push abelcarreras travis-ci-com pending completion   set done
132 master dropped test for python 2.7 push abelcarreras travis-ci-com pending completion   set done
131 development dropped test for python 2.7 push abelcarreras travis-ci-com pending completion   set done
130 master Implemented diabatization parsing for parser_cis.py Adedd cis diabatization example Added convenience to optimization restrictions parameters push abelcarreras travis-ci-com pending completion   set done