SetSysDefaults Subroutine

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

        use default_sets
        USE SymData, only: tAbelianFastExcitGen
        USE SymData, only: tStoreStateList
        use OneEInts, only: tOneElecDiag

        t_calc_adjoint = .false.
        ! Default from SymExcitDataMod
        tBuildOccVirtList = .false.
!     SYSTEM defaults - leave these as the default defaults
!     Any further addition of defaults should change these after via
!     specifying a new set of DEFAULTS.
        ! implementation of spin adapted GUGA approach
        t_twisted_bc = .false.
        t_consider_diff_bias = .false.
        tReltvy = .false.
        tComplexOrbs_RealInts = .false.
        tComplexWalkers_RealInts = .false.
        tReadFreeFormat = .true.
        tMolproMimic = .false.
        tNoSingExcits = .false.
        tOneElecDiag = .false.
        tMCSizeTruncSpace = .false.
        iMCCalcTruncLev = 0
        tOddS_HPHF = .false.
        tRotatedOrbsReal = .false.  !This is set if compiled in real, but reading in a complex FCIDUMP.
        tISKFuncs = .false.       !This is for kpoint symmetry with inversion so that determinants can be combined.
        tKPntSym = .false.        !This is for k-point symmetry with the symrandexcit2 excitation generators.
        tNoSinglesPossible = .false.
        tMCSizeSpace = .false.
        t_impurity_excitgen = .false.
        CalcDetPrint = 1000
        CalcDetCycles = 10000
        tFixLz = .false.
        tStoreSpinOrbs = .false.    !by default we store/lookup integrals as spatial integrals
        tNoBrillouin = .true.
        tBrillouinsDefault = .true.
        tROHF = .false.
        tHPHFInts = .false.
        tHPHF = .false.
        tMaxHLGap = .false.
        UMatEps = 1.0e-8
        LMatEps = 1.0e-10
        tExactSizeSpace = .false.
        iRanLuxLev = 3      !This is the default level of quality for the random number generator.
        tNoSymGenRandExcits = .false.
        tNonUniRandExcits = .true.
        tCycleOrbs = .false.
        TSTARBIN = .false.
        TREADINT = .false.
        tHFOrder = .false.
        TDFREAD = .false.
        tRIIntegrals = .false.
        TPBC = .false.
        TCPMD = .false.
        tVASP = .false.
        THUB = .false.
        TUEG = .false.
        tUEG2 = .false.
        tHeisenberg = .false.
        tLatticeGens = .false.
        tNoFailAb = .false.
        LMS = 0
        TSPN = .false.
        STOT = 0
        TPARITY = .false.
        IParity(:) = 0
        dimen = 3
        NMAXX = 0
        NMAXY = 0
        NMAXZ = 0
        NMSH = 32
        BOX = 1.0_dp
        BOA = 1.0_dp
        COA = 1.0_dp
        TUSEBRILLOUIN = .false.
        tUHF = .false.
        FUEGRS = 0.0_dp
        iPeriodicDampingType = 0
        fRc = 0.0_dp
        TEXCH = .true.
        UHUB = 4
        BHUB = -1
        btHub = 0.0_dp
        TREAL = .false.
        tUEGTrueEnergies = .false.
        tUEGSpecifyMomentum = .false.
        tUEGOffset = .false.
        TTILT = .false.
        TALPHA = .false.
        ALPHA = 0.0_dp
        ISTATE = 1
        OrbECutoff = 1e20_dp
        tOrbECutoff = .false.
        gCutoff = 1e20_dp ! This shouldn't be used
        tgCutoff = .false.
        tMadelung = .false.
        Madelung = 0.0_dp
        tUEGFreeze = .false.
        FreezeCutoff = 1e20_dp ! This shouldn't be used
        tMP2UEGRestrict = .false.
        tStoreAsExcitations = .false.
        TBIN = .false.
        tAbelianFastExcitGen = .true.
        TNoRenormRandExcits = .false.
        tStoreStateList = .false.       !This will be turned to true by default if not in abelian symmetry
        tAssumeSizeExcitgen = .false.
        tLagrange = .false.
        tShake = .false.
        lNoSymmetry = .false.
        tRotateOrbs = .false.
        TimeStep = 0.01_dp
        ConvergedForce = 0.001_dp
        ShakeConverged = 0.001_dp
        tShakeApprox = .false.
        tShakeDelay = .false.
        ShakeStart = 1
        tROIteration = .false.
        ROIterMax = 5000
        tShakeIter = .false.
        ShakeIterMax = 5
        tSeparateOccVirt = .false.
        tOffDiagSqrdMin = .false.
        tOffDiagSqrdMax = .false.
        tOffDiagMin = .false.
        tOffDiagMax = .false.
        tDoubExcMin = .false.
        tHijSqrdMin = .false.
        tOneElIntMax = .false.
        tOnePartOrbEnMax = .false.
        tHFSingDoubExcMax = .false.
        tERLocalization = .false.
        tVirtCoulombMax = .false.
        tVirtExchangeMin = .false.
        tRotateOccOnly = .false.
        tRotateVirtOnly = .false.
        tSpinOrbs = .false.
        tReadInCoeff = .false.
        tUseMP2VarDenMat = .false.
        tUseHFOrbs = .false.
        tFindCINatOrbs = .false.
        DiagWeight = 1.0_dp
        OffDiagWeight = 1.0_dp
        OneElWeight = 1.0_dp
        OrbEnMaxAlpha = 1.0_dp
        MaxMinFac = 1
        DiagMaxMinFac = -1
        OneElMaxMinFac = 1
        tDiagonalizehij = .false.
        tHFNoOrder = .true.
        tSymIgnoreEnergies = .false.
        tPickVirtUniform = .false.
        tStoquastize = .false.
        tAllSymSectors = .false.
        tGenHelWeighted = .false.
        tGen_4ind_weighted = .false.
        tGen_4ind_part_exact = .false.
        tGen_4ind_lin_exact = .false.
        tGen_4ind_reverse = .false.
        tUEGNewGenerator = .false.
        tGen_4ind_2 = .false.
        tGen_4ind_2_symmetric = .false.
        tmodHub = .false.
        t_uniform_excits = .false.
        t_mol_3_body = .false.
        t_ueg_3_body = .false.
        t_ueg_transcorr = .false.
        t_trcorr_gausscutoff = .false.
        t_ueg_dump = .false.
        t_exclude_3_body_excits = .false.
        t_pcpp_excitgen = .false.
        t_fci_pchb_excitgen = .false.
        tMultiReplicas = .false.
        t_adjoint_replicas = .false.
        ! GAS options
        tGAS = .false.
        tAnderson = .false.

        ! by default, excitation generation already creates matrix elements
        tGenMatHEl = .true.
        tInfSumTCCalc = .false.
        tInfSumTCPrint = .false.
        tInfSumTCRead = .false.
        PotentialStrength = 1.0_dp
        TranscorrCutoff = 0
        TranscorrIntCutoff = 0
        TranscorrGaussCutoff = 1.d0
        TContact = .false.
        TUnitary = .false.
        Tperiodicinmom = .false.
        t12FoldSym = .false.
        t_initialized_roi = .false.
        FixedNodeCutoff = 0.0_dp
        FixedNodeMinThresh = 1.0e-13_dp
        FixedNodeLowestVal = 0.0_dp
        PartialNodeGamma = 0.0_dp
        PartialNodeThresh = 0.0_dp

#ifdef PROG_NUMRUNS_
        inum_runs = 1
#ifdef CMPLX_
        lenof_sign = 2
#else
        lenof_sign = 1
#endif
#endif

!Feb08 defaults:
        IF (Feb08) THEN
            !...add defaults...
        end if

! Coulomb damping function currently removed.
        FCOULDAMPBETA = -1.0_dp
        COULDAMPORB = 0
        k_offset = 0.0_dp

    end subroutine SetSysDefaults