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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
guga_main
symrandexcit_Ex_mag
kp_fciqmc_data_mod
MemoryManager
PopsfileMod
excit_gen_5
fcimc_helper
bit_rep_data
rdm_filling
hilbert_space_size
matel_getter
gndts_mod
DetBitOps
adi_references
semi_stoch_gen
blas_interface_mod
OneEInts
adi_data
tc_three_body_excitgen
global_det_data
SD_spin_purification_mod
util_mod
sort_mod
initiator_space_procs
rdm_general
HPHFRandExcitMod
constants
procedure_pointers
sym_general_mod
soft_exit
hash
sym_mod
symrandexcit3
excitation_types
guga_excitations
load_balance_calcnodes
fcimc_pointed_fns
dSFMT_interface
block_spawns
guga_init
real_time_data
LoggingData
semi_stoch_procs
tJ_model
SymData
FciMCData
hphf_integrals
core_space_util
SymExcitDataMod
hist_data
ueg_excit_gens
FciMCLoggingMod
replica_estimates
rdm_data
gasci
real_time_procs
impurity_models
SymExcit4
k_space_hubbard
local_spin
GenRandSymExcitNUMod
double_occ_mod
property_vector_index
sdt_amplitudes
sltcnd_mod
exc_gen_classes
hist
Parallel_neci
Determinants
trial_wf_gen
gasci_supergroup_index
excit_gens_int_weighted
cepa_shifts
IntegralsData
tau_main
real_space_hubbard
get_excit
DetCalcData
hdf5_popsfile
CalcData
guga_matrixElements
SystemData
back_spawn
lattice_models_utils
CAS_distribution_init
DeterminantData
bit_reps
back_spawn_excit_gen
guga_bitRepOps
pcpp_excitgen
initial_trial_states
cont_time_rates
fortran_strings
SymExcit3
tc_three_body_data
load_balance
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