ChangeRefDet Module Subroutine

module subroutine ChangeRefDet(DetCurr)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: DetCurr(NEl)

Contents

Source Code


Source Code

    module subroutine ChangeRefDet(DetCurr)
        INTEGER, intent(in) :: DetCurr(NEl)
        integer :: i

        FDet(1 : nEL) = DetCurr(1 : nEl)

        write(stdout, "(A)") "*** Changing the reference determinant ***"
        write(stdout, "(A)") "Switching reference and zeroing energy counters - restarting simulation"
    !
    !Initialise variables for calculation on each node
        Iter = 1
        CALL DeallocFCIMCMemPar()
        IF (iProcIndex == Root) THEN
            close(fcimcstats_unit)
            if (inum_runs == 2) close(fcimcstats_unit2)
            IF (tTruncInitiator) close(initiatorstats_unit)
            IF (tLogComplexPops) close(complexstats_unit)
            if (tLogEXLEVELStats) close(EXLEVELStats_unit)
        end if
        IF (TDebug) close(11)
        CALL SetupParameters()
        CALL InitFCIMCCalcPar()

    end subroutine ChangeRefDet