$FMOEND group (optional, for FMO runs) Dimer energies for restart jobs. The group should be taken from a previous run. The format is IFG, JFG and ILAY, followed by 2 dimer energies, (E'IJ and Tr(deltaDIJ*VIJ)). IFG and JFG describe the dimer and ILAY is the layer number. This group is optional for FMO restarts IREST=4 and is otherwise ignored. Note that for parallel restarts, $FMOEND inputs from all nodes should be collected and merged into one group. ========================================================== $OPTRST group (optional, for RUNTYP=OPTFMO) Restart data for FMO geometry optimizations. The data inside vary for each optimization method, and are supposed to be taken from a previous run (from the punch file). ==========================================================
generated on 7/7/2017