| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| integer, | public | :: | iDiagSubspaceIter | ||||
| logical, | public | :: | tDiagWalkerSubspace | ||||
| integer, | public | :: | ILOGGING | ||||
| integer, | public | :: | ILOGGINGDef | ||||
| integer, | public | :: | iGlobalTimerLevel | = | 40 | ||
| integer, | public | :: | nPrintTimer | ||||
| integer, | public | :: | G_VMC_LOGCOUNT | ||||
| integer, | public | :: | HFLOGLEVEL | ||||
| integer, | public | :: | iWritePopsEvery | ||||
| integer, | public | :: | StartPrintOrbOcc | ||||
| integer, | public | :: | PreVarLogging | ||||
| integer, | public | :: | WavevectorPrint | ||||
| integer, | public | :: | NoHistBins | ||||
| integer, | public | :: | HistInitPopsIter | ||||
| real(kind=dp), | public | :: | MaxHistE | ||||
| real(kind=dp), | public | :: | OffDiagMax | ||||
| real(kind=dp), | public | :: | OffDiagBinRange | ||||
| real(kind=dp), | public | :: | PopsfileTimer | ||||
| logical, | public | :: | TDistrib | ||||
| logical, | public | :: | TPopsFile | ||||
| logical, | public | :: | TCalcWavevector | ||||
| logical, | public | :: | TDetPops | ||||
| logical, | public | :: | tROFciDump | ||||
| logical, | public | :: | tROHistOffDiag | ||||
| logical, | public | :: | tROHistDoubExc | ||||
| logical, | public | :: | tROHistOnePartOrbEn | ||||
| logical, | public | :: | tPrintPopsDefault | ||||
| logical, | public | :: | TZeroProjE | ||||
| logical, | public | :: | TWriteDetE | ||||
| logical, | public | :: | TAutoCorr | ||||
| logical, | public | :: | tBinPops | ||||
| logical, | public | :: | tIncrementPops | ||||
| logical, | public | :: | tROHistogramAll | ||||
| logical, | public | :: | tROHistER | ||||
| logical, | public | :: | tROHistSingExc | ||||
| logical, | public | :: | tRoHistOneElInts | ||||
| logical, | public | :: | tROHistVirtCoulomb | ||||
| logical, | public | :: | tPrintInts | ||||
| logical, | public | :: | tHistEnergies | ||||
| logical, | public | :: | tTruncRODump | ||||
| logical, | public | :: | tRDMonFly | ||||
| logical, | public | :: | tDiagRDM | ||||
| logical, | public | :: | tDo_Not_Calc_2RDM_est | ||||
| logical, | public | :: | tPrintFCIMCPsi | ||||
| logical, | public | :: | tCalcFCIMCPsi | ||||
| logical, | public | :: | tPrintSpinCoupHEl | ||||
| logical, | public | :: | tIterStartBlock | ||||
| logical, | public | :: | tHFPopStartBlock | ||||
| logical, | public | :: | tInitShiftBlocking | ||||
| logical, | public | :: | tTruncDumpbyVal | ||||
| logical, | public | :: | tPrintRODump | ||||
| logical, | public | :: | tno_RDMs_to_read | ||||
| logical, | public | :: | tReadRDMs | ||||
| logical, | public | :: | tNoNewRDMContrib | ||||
| logical, | public | :: | tWriteTransMat | ||||
| logical, | public | :: | tPrintOrbOcc | ||||
| logical, | public | :: | tHistInitPops | ||||
| logical, | public | :: | tPrintOrbOccInit | ||||
| logical, | public | :: | tWriteMultRDMs | ||||
| logical, | public | :: | twrite_normalised_RDMs | ||||
| logical, | public | :: | tWriteSpinFreeRDM | ||||
| logical, | public | :: | twrite_RDMs_to_read | ||||
| logical, | public | :: | tNoNOTransform | ||||
| logical, | public | :: | tPrint1RDM | ||||
| logical, | public | :: | tPrintInitiators | ||||
| integer, | public | :: | NoACDets(2:4) | ||||
| integer, | public | :: | iPopsPartEvery | ||||
| integer, | public | :: | iWriteHistEvery | ||||
| integer, | public | :: | NHistEquilSteps | ||||
| integer, | public | :: | IterRDMonFly | ||||
| integer, | public | :: | RDMExcitLevel | ||||
| integer, | public | :: | RDMEnergyIter | ||||
| integer, | public | :: | IterWriteRDMs | ||||
| integer, | public | :: | FCIMCDebug | ||||
| logical, | public | :: | tExplicitAllRDM | ||||
| logical, | public | :: | tChangeVarsRDM | ||||
| logical, | public | :: | tPopAutoAdaptiveShift | ||||
| logical, | public | :: | tPopScaleBlooms | ||||
| logical, | public | :: | tPopAccumPops | ||||
| integer, | public | :: | PopAccumPopsCounter | ||||
| logical, | public | :: | tSaveBlocking | ||||
| integer, | public | :: | iWriteBlockingEvery | ||||
| integer, | public | :: | IterStartBlocking | ||||
| integer, | public | :: | HFPopStartBlocking | ||||
| integer, | public | :: | NoDumpTruncs | ||||
| integer(kind=TagIntType), | public | :: | OrbOccsTag | ||||
| integer(kind=TagIntType), | public | :: | HistInitPopsTag | ||||
| integer(kind=TagIntType), | public | :: | AllHistInitPopsTag | ||||
| integer(kind=TagIntType), | public | :: | NoTruncOrbsTag | ||||
| integer(kind=TagIntType), | public | :: | TruncEvaluesTag | ||||
| integer, | public, | ALLOCATABLE | :: | NoTruncOrbs(:) | |||
| integer, | public, | ALLOCATABLE | :: | HistInitPops(:,:) | |||
| integer, | public, | ALLOCATABLE | :: | AllHistInitPops(:,:) | |||
| real(kind=dp), | public, | ALLOCATABLE | :: | TruncEvalues(:) | |||
| real(kind=dp), | public, | ALLOCATABLE | :: | OrbOccs(:) | |||
| real(kind=dp), | public, | ALLOCATABLE | :: | DoubsUEG(:,:,:,:) | |||
| real(kind=dp), | public, | ALLOCATABLE | :: | DoubsUEGLookup(:) | |||
| logical, | public, | ALLOCATABLE | :: | DoubsUEGStore(:,:,:) | |||
| logical, | public | :: | tBlockEveryIteration | ||||
| logical, | public | :: | tLogDets | ||||
| logical, | public | :: | tLogComplexPops | ||||
| logical, | public | :: | tLogEXLEVELStats | ||||
| logical, | public | :: | tMCOutput | ||||
| logical, | public | :: | tDumpForcesInfo | ||||
| logical, | public | :: | tPrintLagrangian | ||||
| real(kind=dp), | public | :: | ThreshOccRDM | ||||
| logical, | public | :: | tFullHFAv | ||||
| logical, | public | :: | tThreshOccRDMDiag | ||||
| logical, | public | :: | tRDMInstEnergy | ||||
| logical, | public | :: | tCalcInstantS2 | ||||
| logical, | public | :: | tCalcInstSCpts | ||||
| logical, | public | :: | tCalcInstantS2Init | ||||
| integer, | public | :: | instant_s2_multiplier | ||||
| integer, | public | :: | instant_s2_multiplier_init | ||||
| integer, | public | :: | iHighPopWrite | ||||
| logical, | public | :: | tPrintCIVec | ||||
| integer, | public | :: | iNumCITermsPrinted | ||||
| logical, | public | :: | t_force_replica_output | = | .false. | ||
| logical, | public | :: | tJustBlocking | ||||
| integer, | public | :: | iBlockEquilShift | ||||
| integer, | public | :: | iBlockEquilProjE | ||||
| logical, | public | :: | tDiagAllSpaceEver | ||||
| logical, | public | :: | tCalcVariationalEnergy | ||||
| logical, | public | :: | tSplitPops | ||||
| real(kind=dp), | public | :: | binarypops_min_weight | ||||
| logical, | public | :: | tWriteCore | ||||
| logical, | public | :: | tWriteTrial | ||||
| logical, | public | :: | tWriteCoreEnd | ||||
| integer, | public | :: | write_end_core_size | ||||
| logical, | public | :: | tCompareTrialAmps | ||||
| integer, | public | :: | compare_amps_period | ||||
| logical, | public | :: | tDipoles | ||||
| logical, | public | :: | tHistExcitToFrom | ||||
| logical, | public | :: | log_cont_time_survivals | ||||
| logical, | public | :: | tNoWarnIC0Bloom | ||||
| logical, | public | :: | tDumpHamilBinary | ||||
| logical, | public | :: | tDumpHamilOverlap | ||||
| logical, | public | :: | tFCIMCStats2 | ||||
| integer, | public | :: | StepsPrint | ||||
| logical, | public | :: | tCoupleCycleOutput | = | .true. | ||
| logical, | public | :: | tForceCauchySchwarz | ||||
| logical, | public | :: | tBrokenSymNOs | ||||
| logical, | public | :: | tBreakSymNOs | ||||
| real(kind=dp), | public | :: | occ_numb_diff | ||||
| integer, | public | :: | rottwo | ||||
| integer, | public | :: | rotthree | ||||
| integer, | public | :: | rotfour | ||||
| integer, | public | :: | local_cutoff | ||||
| integer, | public, | allocatable | :: | RotNOs(:) | |||
| integer(kind=TagIntType), | public | :: | tagRotNOs | ||||
| logical, | public | :: | tPrintDataTables | ||||
| logical, | public | :: | tOutputLoadDistribution | ||||
| logical, | public | :: | tHDF5PopsRead | ||||
| logical, | public | :: | tHDF5PopsWrite | ||||
| logical, | public | :: | t_umat_output | = | .false. | ||
| logical, | public | :: | tReduceHDF5Pops | ||||
| real(kind=dp), | public | :: | HDF5PopsMin | ||||
| integer, | public | :: | iHDF5PopsMinEx | ||||
| logical, | public | :: | tHDF5TruncPopsWrite | ||||
| integer, | public | :: | iHDF5TruncPopsEx | ||||
| integer, | public | :: | iHDF5TruncPopsIter | ||||
| logical, | public | :: | tPopsProjE | ||||
| logical, | public | :: | tAccumPops | ||||
| logical, | public | :: | tAccumPopsActive | ||||
| integer, | public | :: | iAccumPopsIter | ||||
| integer, | public | :: | iAccumPopsMaxEx | ||||
| integer, | public | :: | iAccumPopsExpireIters | ||||
| real(kind=dp), | public | :: | AccumPopsExpirePercent | ||||
| integer, | public | :: | iAccumPopsCounter | ||||
| logical, | public | :: | tOldRDMs | = | .false. | ||
| logical, | public | :: | tTransitionRDMs | = | .false. | ||
| logical, | public | :: | tPrint1RDMsFrom2RDMPops | = | .false. | ||
| logical, | public | :: | tPrint1RDMsFromSpinfree | = | .false. | ||
| logical, | public | :: | tCalcPropEst | ||||
| integer, | public | :: | iNumPropToEst | ||||
| character(len=100), | public, | allocatable | :: | EstPropFile(:) | |||
| logical, | public | :: | t_calc_double_occ | = | .false. | ||
| integer, | public | :: | equi_iter_double_occ | = | 0 | ||
| logical, | public | :: | t_calc_double_occ_av | = | .false. | ||
| logical, | public | :: | t_print_frq_histograms | = | .true. | ||
| integer, | public | :: | maxInitExLvlWrite | ||||
| integer, | public, | allocatable | :: | initsPerExLvl(:) | |||
| integer, | public, | allocatable | :: | allInitsPerExLvl(:) | |||
| logical, | public | :: | t_no_append_stats | = | .false. | ||
| logical, | public | :: | t_spin_resolved_rdms | = | .false. | ||
| logical, | public | :: | t_log_ija | = | .false. | ||
| integer, | public, | allocatable | :: | ija_bins_sing(:) | |||
| integer, | public, | allocatable | :: | all_ija_bins_sing(:) | |||
| integer, | public, | allocatable | :: | ija_bins_para(:,:,:) | |||
| integer, | public, | allocatable | :: | all_ija_bins(:,:,:) | |||
| integer, | public, | allocatable | :: | ija_bins_anti(:,:,:) | |||
| integer, | public, | allocatable | :: | ija_orbs_sing(:) | |||
| integer, | public, | allocatable | :: | all_ija_orbs_sing(:) | |||
| integer, | public, | allocatable | :: | ija_orbs_para(:,:,:) | |||
| integer, | public, | allocatable | :: | all_ija_orbs(:,:,:) | |||
| integer, | public, | allocatable | :: | ija_orbs_anti(:,:,:) | |||
| real(kind=dp), | public | :: | ija_thresh | = | 1.0e-7_dp | ||
| logical, | public | :: | t_store_ci_coeff | = | .false. | ||
| logical, | public | :: | t_start_ci_coeff | = | .true. | ||
| integer, | public | :: | n_iter_ci_coeff | = | 1000 | ||
| integer, | public | :: | n_store_ci_level | = | 2 | ||
| logical, | public | :: | tWriteRefs | ||||
| character(len=255), | public | :: | ref_filename | ||||
| logical, | public | :: | tFValEnergyHist | ||||
| logical, | public | :: | tFValPopHist | ||||
| integer, | public | :: | FvalEnergyHist_EnergyBins | ||||
| integer, | public | :: | FvalEnergyHist_FValBins | ||||
| integer, | public | :: | FvalPopHist_PopBins | ||||
| integer, | public | :: | FvalPopHist_FValBins | ||||
| logical, | public | :: | t_spin_measurements | = | .false. | ||
| logical, | public | :: | t_print_core_info | = | .false. | ||
| logical, | public | :: | t_print_core_hamil | = | .false. | ||
| logical, | public | :: | t_print_core_vec | = | .false. | ||
| logical, | public | :: | t_hist_fvals | ||||
| integer, | public | :: | enGrid | ||||
| integer, | public | :: | arGrid | ||||
| logical, | public | :: | tHistLMat | ||||
| logical, | public | :: | t_print_molcas_rdms | = | .false. | ||
| logical, | public | :: | tFullProjE | ||||
| logical, | public | :: | tEstHilbSpaceMC | = | .false. | ||
| integer, | public | :: | HilbSpaceSamples | ||||
| logical, | public | :: | t_measure_local_spin | = | .false. | ||
| logical, | public | :: | t_full_core_rdms | = | .false. | ||
| logical, | public | :: | tUserKnowsBiasedRDMS | = | .false. | ||
| logical, | public | :: | t_print_hdf5_rdms | = | .false. |