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 = .false.
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.
! use weighted singles for the pchb excitgen?
t_guga_pchb_weighted_singles = .false.
tMultiReplicas = .false.
t_adjoint_replicas = .false.
! GAS options
tGAS = .false.
#ifdef PROG_NUMRUNS_
! 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.
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