$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.
14 lines are written.
Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.