MC-PDFT Software


Date of most recent change to this page:Sept. 30, 2019   

MC-PDFT is now implemented in three software packages:


OpenMolcas See: https://comp.chem.umn.edu/MC-PDFT_in_OpenMolcas
GAMESS See: https://comp.chem.umn.edu/MC-PDFT_in_GAMESS
mrh/PySCF See: http://www1.chem.umn.edu/groups/gagliardi/research/software/mrh/