Set_AS_TrialOffset Subroutine

public subroutine Set_AS_TrialOffset(nexcit_keep, replica_pairs)

Uses

Set the offset of the adaptive shift equal to the eigen energy(s) of the trial space.

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nexcit_keep

number of wave functions/energies kept during trial-wf initialization

logical, intent(in) :: replica_pairs

whether replicas are assumed to be paired during trial-wf initialization