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