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Source Files
Modules
Procedures
Abstract Interfaces
Derived Types
Program
fcimc_initialisation
Module
2842 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
IntegralsData
excit_gens_int_weighted
DetBitOps
k_space_hubbard
DeterminantData
SymExcit3
gasci_supergroup_index
HPHFRandExcitMod
excit_gen_5
procedure_pointers
excitation_types
sym_mod
load_balance_calcnodes
fcimc_helper
local_spin
sym_general_mod
semi_stoch_procs
back_spawn
SD_spin_purification_mod
CAS_distribution_init
PopsfileMod
ueg_excit_gens
matel_getter
SymExcit4
semi_stoch_gen
tc_three_body_data
sltcnd_mod
tJ_model
symrandexcit3
double_occ_mod
fcimc_pointed_fns
kp_fciqmc_data_mod
adi_references
SystemData
tau_main
global_det_data
trial_wf_gen
FciMCLoggingMod
tc_three_body_excitgen
real_space_hubbard
cepa_shifts
rdm_general
LoggingData
sdt_amplitudes
core_space_util
GenRandSymExcitNUMod
symrandexcit_Ex_mag
pcpp_excitgen
initial_trial_states
sort_mod
hist_data
blas_interface_mod
real_time_procs
FciMCData
DetCalcData
Determinants
guga_bitRepOps
rdm_filling
guga_excitations
rdm_data
guga_pchb_excitgen
dSFMT_interface
real_time_data
lattice_models_utils
CalcData
bit_rep_data
guga_main
hphf_integrals
impurity_models
gndts_mod
Parallel_neci
util_mod
load_balance
OneEInts
bit_reps
SymData
hash
get_excit
initiator_space_procs
adi_data
replica_estimates
SymExcitDataMod
hist
guga_matrixElements
MemoryManager
back_spawn_excit_gen
fortran_strings
constants
cont_time_rates
soft_exit
exc_gen_classes
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
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