36.9 Interface to other programs


causes the FCI diagonalization to be bypassed, with input information and transformed integrals being written to a formatted file FCIDUMP. The format is as described in Comp. Phys. Commun. 54 (1989) 75, and in an external program should be accessed using the FCIdump class or module available from https://bitbucket.org/pjknowles/fcidump.

molpro@molpro.net 2019-09-18