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Program
fcimc_initialisation
Module
2917 statements
Source File
fcimc_initialisation.F90
fcimc_initialisation
Contents
Subroutines
SetupParameters
InitFCIMCCalcPar
init_fcimc_fn_pointers
DeallocFCIMCMemPar
InitFCIMC_CSF
InitFCIMC_HF
InitFCIMC_HF_orthog
InitFCIMC_trial
set_initial_run_references
InitFCIMC_MP1
CheckforBrillouins
CalcApproxpDoubles
CreateSpinInvBRR
SetupValidSpawned
sync_rdm_sampling_iter
CalcUEGMP2
MoveFCIMCStatsFiles
assign_reference_dets
init_cont_time
clean_cont_time
setup_adi
setup_dynamic_core
init_norm
Uses
SymData
hist_data
SymExcit4
core_space_util
load_balance_calcnodes
back_spawn
SymExcitDataMod
soft_exit
Determinants
symrandexcit_Ex_mag
SystemData
property_vector_index
symrandexcit3
GenRandSymExcitNUMod
guga_main
util_mod
local_spin
get_excit
real_space_hubbard
DetBitOps
initiator_space_procs
rdm_filling
trial_wf_gen
back_spawn_excit_gen
block_spawns
SD_spin_purification_mod
CalcData
impurity_models
hdf5_popsfile
sym_mod
DeterminantData
pcpp_excitgen
cont_time_rates
ueg_excit_gens
procedure_pointers
tau_main
fcimc_pointed_fns
hphf_integrals
LoggingData
sort_mod
constants
initial_trial_states
FciMCData
cepa_shifts
gasci
real_time_data
tc_three_body_data
semi_stoch_gen
excit_gen_5
exc_gen_classes
hist
FciMCLoggingMod
kp_fciqmc_data_mod
SymExcit3
IntegralsData
guga_bitRepOps
rdm_data
hilbert_space_size
tc_three_body_excitgen
gasci_supergroup_index
CAS_distribution_init
k_space_hubbard
excitation_types
PopsfileMod
lattice_models_utils
adi_references
double_occ_mod
hash
matel_getter
guga_init
blas_interface_mod
tJ_model
OneEInts
bit_rep_data
rdm_general
bit_reps
guga_matrixElements
fortran_strings
dSFMT_interface
excit_gens_int_weighted
fcimc_helper
sltcnd_mod
guga_excitations
MemoryManager
Parallel_neci
real_time_procs
sdt_amplitudes
global_det_data
DetCalcData
semi_stoch_procs
adi_data
load_balance
HPHFRandExcitMod
sym_general_mod
replica_estimates
gndts_mod
Subroutines
public subroutine
SetupParameters
()
Arguments
None
public subroutine
InitFCIMCCalcPar
()
Arguments
None
public subroutine
init_fcimc_fn_pointers
()
ptr1 => ptr2 T
ptr1,
ptr2; ptr1 = ptr2; ptr1 = ptr2
ptr1 =
ptr2;
Arguments
None
public subroutine
DeallocFCIMCMemPar
()
Arguments
None
public subroutine
InitFCIMC_CSF
()
Arguments
None
public subroutine
InitFCIMC_HF
()
Arguments
None
public subroutine
InitFCIMC_HF_orthog
()
Arguments
None
public subroutine
InitFCIMC_trial
()
Arguments
None
public subroutine
set_initial_run_references
()
Arguments
None
public subroutine
InitFCIMC_MP1
()
Arguments
None
public subroutine
CheckforBrillouins
()
Arguments
None
public subroutine
CalcApproxpDoubles
()
Arguments
None
public subroutine
CreateSpinInvBRR
()
Arguments
None
public subroutine
SetupValidSpawned
(WalkerListSize)
Arguments
Type
Intent
Optional
Attributes
Name
integer(kind=int64),
intent(in)
::
WalkerListSize
public subroutine
sync_rdm_sampling_iter
()
Arguments
None
public subroutine
CalcUEGMP2
()
Arguments
None
public subroutine
MoveFCIMCStatsFiles
()
Arguments
None
public subroutine
assign_reference_dets
()
Arguments
None
public subroutine
init_cont_time
()
Arguments
None
public subroutine
clean_cont_time
()
Arguments
None
public subroutine
setup_adi
()
Arguments
None
public subroutine
setup_dynamic_core
()
Arguments
None
public subroutine
init_norm
()
Arguments
None