Parse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way
Why do you think that https://github.com/pyparsing/pyparsing/ is a good alternative to molextract
Parse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way
Why do you think that https://github.com/pyparsing/pyparsing/ is a good alternative to molextract