SetLogDefaults Subroutine

public subroutine SetLogDefaults()

Arguments

None

Contents

Source Code


Source Code

    subroutine SetLogDefaults()
        != Set defaults for Logging data items.

        use default_sets
        implicit none

        ! real-time implementation changes:
        n_real_time_copies = 1
        cnt_real_time_copies = 1
        t_prepare_real_time = .false.

        ! By default, the output is given by the shift cycle
        StepsPrint = 10
        tCoupleCycleOutput = .true.

        tDipoles = .false.
        tPrintInitiators = .false.
        tDiagAllSpaceEver = .false.
        tCalcVariationalEnergy = .false.
        tJustBlocking = .false.
        iBlockEquilShift = 0
        iBlockEquilProjE = 0
        ErrorDebug = 0
        iHighPopWrite = 15    !How many highest weighted determinants to write out at the end of an FCIQMC calc.
        t_force_replica_output = .false.
        tDiagWalkerSubspace = .false.
        iDiagSubspaceIter = 1
        PopsfileTimer = 0.0_dp
        tMCOutput = .true.
        tLogComplexPops = .false.
        iWriteBlockingEvery = 1000
        tSaveBlocking = .false.
        OffDiagBinRange = 0.001_dp
        OffDiagMax = 1.0_dp
        BinRange = 0.001_dp
        iNoBins = 100000
        tHistEnergies = .false.
        tHistSpawn = .false.
        iWriteHistEvery = -1
        NoACDets(:) = 0
        TAutoCorr = .false.
        MaxHistE = 50.0_dp
        NoHistBins = 200
        iWritePopsEvery = 100000
        TCalcWavevector = .false.
        WavevectorPrint = 100
        TPopsFile = .true.
        tIncrementPops = .false.
        tPrintPopsDefault = .true.
        TDistrib = .false.
        ILOGGINGDef = 0
        iGlobalTimerLevel = 40
        nPrintTimer = 10
        HFLOGLEVEL = 0
        PreVarLogging = 0
        TDetPops = .false.
        TZeroProjE = .false.
        TWriteDetE = .false.
        iPopsPartEvery = 1
        tBinPops = .false.
        tROHistogramAll = .false.
        tROFciDump = .true.
        tTruncRODump = .false.
        tTruncDumpbyVal = .false.
        tROHistER = .false.
        tROHistDoubExc = .false.
        tROHistOffDiag = .false.
        tROHistSingExc = .false.
        tROHistOnePartOrbEn = .false.
        tROHistOneElInts = .false.
        tPrintInts = .false.
        tPrintSpinCoupHEl = .false.
        tPrintFCIMCPsi = .false.
        tCalcFCIMCPsi = .false.
        NHistEquilSteps = 0
        tPrintOrbOcc = .false.
        StartPrintOrbOcc = 0
        tPrintOrbOccInit = .false.
        FCIMCDebug = 0
        tHFPopStartBlock = .false.
        tIterStartBlock = .false.
        IterStartBlocking = 0
        HFPopStartBlocking = 100
        tInitShiftBlocking = .false.
        NoDumpTruncs = 0
        tWriteTransMat = .false.
        tHistInitPops = .false.
        HistInitPopsIter = 100000
        tLogDets = .false.
        tLogEXLEVELStats = .false.
        tCalcInstantS2 = .false.
        tCalcInstantS2Init = .false.
        tCalcInstSCpts = .false.
        tCalcPropEst = .false.
        iNumPropToEst = 0
        instant_s2_multiplier = 1
        tRDMonFly = .false.
        tFillingStochRDMonFly = .false.
        tChangeVarsRDM = .false.
        RDMEnergyIter = 100
        tDiagRDM = .false.
        tPrint1RDM = .false.
        tNoNOTransform = .false.
        tPrintRODump = .false.
        IterRDMonFly = 0
        RDMExcitLevel = 1
        tDo_Not_Calc_2RDM_est = .false.
        tExplicitAllRDM = .false.
        twrite_normalised_RDMs = .true.
        tWriteSpinFreeRDM = .false.
        twrite_RDMs_to_read = .false.
        tno_RDMs_to_read = .false.
        tReadRDMs = .false.
        tNoNewRDMContrib = .false.
        IterWriteRDMs = 10000
        tWriteMultRDMs = .false.
        tThreshOccRDMDiag = .false.
        ThreshOccRDM = 2.0_dp
        tDumpForcesInfo = .false.
        tPrintLagrangian = .false.
        instant_s2_multiplier_init = 1
        binarypops_min_weight = 0
        tSplitPops = .false.
        tWriteCore = .false.
        tWriteCoreEnd = .false.
        write_end_core_size = 0
        tWriteTrial = .false.
        tCompareTrialAmps = .false.
        compare_amps_period = 0
        tHistExcitToFrom = .false.
        tForceCauchySchwarz = .false.
        tBrokenSymNOs = .false.
        occ_numb_diff = 0.001_dp
        tBreakSymNOs = .false.
        local_cutoff = 0
        rottwo = 0
        rotthree = 0
        rotfour = 0
        tRDMInstEnergy = .true.
        tFullHFAv = .false.
        tPrintDataTables = .true.
        tOutputLoadDistribution = .false.
        tHDF5PopsRead = .false.
        tHDF5PopsWrite = .false.
        tReduceHDF5Pops = .false.
        HDF5PopsMin = 1.0_dp
        iHDF5PopsMinEx = 4
        tPopsProjE = .false.
        tHDF5TruncPopsWrite = .false.
        iHDF5TruncPopsEx = 0
        iHDF5TruncPopsIter = 0
        tAccumPops = .false.
        tAccumPopsActive = .false.
        iAccumPopsIter = 0
        iAccumPopsMaxEx = 2
        iAccumPopsExpireIters = 0
        AccumPopsExpirePercent = 0.9_dp
        iAccumPopsCounter = 0
        tWriteRefs = .false.
        maxInitExLvlWrite = 8
#ifdef PROG_NUMRUNS_
        tFCIMCStats2 = .true.
#else
        tFCIMCStats2 = .false.
#endif
        tFvalEnergyHist = .false.
        FvalEnergyHist_EnergyBins = 100
        FvalEnergyHist_FValBins = 10
        tFvalPopHist = .false.
        FvalPopHist_PopBins = 100
        FvalPopHist_FValBins = 10

! Feb08 defaults
        IF (Feb08) THEN
            !Mcpaths set
            ILOGGINGDef = 2
        end if

        ref_filename = "REFERENCES"

    end subroutine SetLogDefaults