3 projects
sum-dirac-dfcoef
This is a utility to summarize the contribution of each atomic orbital per molecular orbital from the DIRAC output file that the .ANALYZE option and *PRIVEC and .VECPRI options are used.
dcaspt2-input-generator
This is a GUI tool for supporting the generation of input files for DIRAC_CASPT2 calculation.
pymolecule-parser
A parser for molecule formula. Nested brackets are supported.
