45.1.4 MCSCF gradients (MCSCF)


Triggers code for MCSCF gradient. record.file specifies the location of information dumped from the MCSCF program, using a SAVE,GRD=recmc.filmc card. This card is not needed if the FORCE command appears directly after the corresponding MCSCF input, since the program automatically remembers where the MCSCF information was stored. The same is true if OPTG is used.

molpro@molpro.net 2018-11-18