SetIntDefaults Subroutine

public subroutine SetIntDefaults()

Arguments

None

Contents

Source Code


Source Code

    subroutine SetIntDefaults()
        != Set defaults for Calc data items.

        use SystemData, only: OrbOrder
        use UMatCache, only: tReadInCache, nSlotsInit, nMemInit, iDumpCacheFlag, iDFMethod
        use default_sets

        tDumpFCIDUMP = .false.
        TLinRootChange = .false.
        TRmRootExcitStarsRootChange = .false.
        TExcitStarsRootChange = .false.
        TDiagStarStars = .false.
        TJustQuads = .false.
        TNoDoubs = .false.
        TCalcExcitStar = .false.
        TQuadVecMax = .false.
        TQuadValMax = .false.
        TDISCONODES = .FALSE.
        NRCONV = 1.0e-13_dp
        RFCONV = 1.0e-8_dp
        NRSTEPSMAX = 50
        TQUADRHO = .false.
        TEXPRHO = .false.
        NTAY(1:2) = 1
        THFBASIS = .false.
        THFCALC = .false.
        nHFit = 0
        HFMix = 0.0_dp
        HFEDelta = 0.0_dp
        HFCDelta = 0.0_dp
        IHFMETHOD = 1
        TRHF = .true.
        TReadTUMat = .false.
        TReadHF = .false.
        NFROZEN = 0
        NTFROZEN = 0
        NFROZENIN = 0
        NTFROZENIN = 0
        NPartFrozen = 0
        NHolesFrozen = 0
        NVirtPartFrozen = 0
        NElVirtFrozen = 0
        tPartFreezeCore = .false.
        tPartFreezeVirt = .false.
        OrbOrder(:, :) = 0
        OrbOrder2(:) = 0.0_dp
        nSlotsInit = 1024
        nMemInit = 0
        iDumpCacheFlag = 0
        tReadInCache = .false.
        iDFMethod = 0
        HFRand = 0.01_dp
        DMatEpsilon = 0
        tPostFreezeHF = .false.
        tSparseLMat = .false.
        tSymBrokenLMat = .false.
        tHDF5LMat = .false.
        tSymBrokenLMat = .false.
!Feb 08 defaults
        IF(Feb08) THEN
            NTAY(2) = 3
        end if

        tLMatCalc = .false.
        lMatCalcHFactor = 1.0

    end subroutine SetIntDefaults