v2DM-DOCI  1.0
Options.h File Reference
#include <stdlib.h>
#include <string>
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Namespaces

 CheMPS2
 

Variables

const int CheMPS2::DMRGSCF_maxIterations = 100
 
const double CheMPS2::DMRGSCF_gradientNormThreshold = 1e-6
 
const bool CheMPS2::DMRGSCF_storeUnitary = true
 
const string CheMPS2::DMRGSCF_unitaryStorageName = "CheMPS2_CASSCF.h5"
 
const int CheMPS2::DMRGSCF_maxlinsizeCutoff = 100
 
const bool CheMPS2::DMRGSCF_debugPrint = false
 
const bool CheMPS2::DMRGSCF_stateAveraged = true
 
const int CheMPS2::DMRGSCF_whichActiveSpace = 0
 
const bool CheMPS2::DMRGSCF_dumpCorrelations = false
 
const bool CheMPS2::DMRGSCF_startLocRandom = false
 
const bool CheMPS2::DMRGSCF_doDIIS = false
 
const double CheMPS2::DMRGSCF_DIISgradientBranch = 1e-2
 
const int CheMPS2::DMRGSCF_numDIISvecs = 7
 
const bool CheMPS2::DMRGSCF_storeDIIS = true
 
const string CheMPS2::DMRGSCF_DIISstorageName = "CheMPS2_DIIS.h5"
 
const string CheMPS2::TMPpath = "/tmp"
 
const bool CheMPS2::DMRG_printDiscardedWeight = false
 
const bool CheMPS2::DMRG_storeRenormOptrOnDisk = true
 
const bool CheMPS2::DMRG_storeMpsOnDisk = false
 
const string CheMPS2::DMRG_MPS_storage_prefix = "CheMPS2_MPS"
 
const string CheMPS2::DMRG_OPERATOR_storage_prefix = "CheMPS2_Operators_"
 
const bool CheMPS2::HAMILTONIAN_debugPrint = false
 
const string CheMPS2::HAMILTONIAN_TmatStorageName = "CheMPS2_Ham_Tmat.h5"
 
const string CheMPS2::HAMILTONIAN_VmatStorageName = "CheMPS2_Ham_Vmat.h5"
 
const string CheMPS2::HAMILTONIAN_ParentStorageName = "CheMPS2_Ham_parent.h5"
 
const string CheMPS2::TWODM_2DM_A_storagename = "CheMPS2_2DM-A.h5"
 
const string CheMPS2::TWODM_2DM_B_storagename = "CheMPS2_2DM-B.h5"
 
const bool CheMPS2::HEFF_debugPrint = true
 
const int CheMPS2::HEFF_DAVIDSON_NUM_VEC = 32
 
const int CheMPS2::HEFF_DAVIDSON_NUM_VEC_KEEP = 3
 
const double CheMPS2::HEFF_DAVIDSON_PRECOND_CUTOFF = 1e-12
 
const double CheMPS2::HEFF_DAVIDSON_RTOL_BASE = 1e-10
 
const bool CheMPS2::SYBK_debugPrint = false
 
const int CheMPS2::SYBK_dimensionCutoff = 262144
 
const double CheMPS2::TENSORT_orthoComparison = 1e-13
 
const bool CheMPS2::CORRELATIONS_debugPrint = false
 
const double CheMPS2::CORRELATIONS_discardEig = 1e-100
 
const double CheMPS2::EDMISTONRUED_gradThreshold = 1e-8
 
const int CheMPS2::EDMISTONRUED_maxIter = 1000
 
const int CheMPS2::EDMISTONRUED_maxIterBackTfo = 15
 
const bool CheMPS2::Orbopt_debugPrint = false