real_time_data Module


Uses


Contents

Variables

Derived Types


Variables

Type Visibility Attributes Name Initial
integer, public :: n_real_time_copies
integer, public :: cnt_real_time_copies
logical, public :: t_prepare_real_time
logical, public :: t_real_time_fciqmc
logical, public :: t_new_stats_file
logical, public :: t_rotated_time
logical, public :: tStaticShift
logical, public :: tDynamicCoreSpace
logical, public :: tRealTimePopsfile
logical, public :: tStabilizerShift
logical, public :: tLimitShift
logical, public :: tDynamicAlpha
logical, public :: tDynamicDamping
logical, public :: tInfInit
logical, public :: tStartVariation
logical, public :: tOverpopulate
logical, public :: tNewOverlap
logical, public :: tOnlyPositiveShift
logical, public :: tHFOverlap
logical, public :: tLowerThreshold
type(fcimc_iter_data), public :: second_spawn_iter_data
integer, public :: gf_type
integer, public :: normsize
integer, public :: gf_count
integer, public :: allGfs
integer, public :: stepsAlpha
integer, public :: rotThresh
real(kind=dp), public :: alphaDamping
real(kind=dp), public :: etaDamping
real(kind=dp), public :: stabilizerThresh
real(kind=dp), public :: tau_imag
real(kind=dp), public :: tau_real
real(kind=dp), public :: elapsedRealTime
real(kind=dp), public :: elapsedImagTime
real(kind=dp), public :: asymptoticShift
real(kind=dp), public :: shiftLimit
integer, public, allocatable :: numCycShiftExcess(:)
real(kind=dp), public, allocatable :: popSnapshot(:)
real(kind=dp), public, allocatable :: allPopSnapShot(:)
integer, public, allocatable :: snapshotOrbs(:)
integer, public :: numSnapshotOrbs
real(kind=dp), public, allocatable :: overlap_real(:)
real(kind=dp), public, allocatable :: overlap_imag(:)
complex(kind=dp), public, allocatable :: dyn_norm_red(:,:)
complex(kind=dp), public, allocatable :: gf_overlap(:,:)
complex(kind=dp), public, allocatable :: dyn_norm_psi(:)
real(kind=dp), public, allocatable :: gs_energy(:)
real(kind=dp), public, allocatable :: shift_damping(:)
real(kind=dp), public, allocatable :: TotPartsPeak(:)
real(kind=dp), public, allocatable :: alphaLog(:)
integer, public :: alphaLogSize
integer, public :: alphaLogPos
complex(kind=dp), public, allocatable :: current_overlap(:,:)
logical, public :: tVerletScheme
logical, public :: tVerletSweep
integer(kind=n_int), public, allocatable :: spawnBuf(:,:)
integer, public :: spawnBufSize
integer, public :: iterInit
integer(kind=n_int), public, pointer :: dpsi_cache(:,:)
integer, public :: dpsi_size
integer, public :: max_cache_size
integer, public :: backup_size
complex(kind=dp), public, allocatable :: pert_norm(:,:)
integer(kind=int64), public :: TotWalkers_orig
type(perturbed_state), public, allocatable :: overlap_states(:)
type(real_time_type), public :: real_time_info
logical, public :: t_kspace_operators
real(kind=dp), public, allocatable :: phase_factors(:)
integer(kind=n_int), public, allocatable, target :: temp_det_list(:,:)
integer(kind=n_int), public, pointer :: temp_det_pointer(:,:)
type(ll_node), public, pointer :: temp_det_hash(:)
integer, public :: temp_n_hashes
real(kind=dp), public :: temp_hash_frac
integer(kind=int64), public :: temp_totWalkers
integer, public :: MaxSpawnedDiag
integer(kind=n_int), public, pointer :: DiagParts(:,:)
integer(kind=n_int), public, allocatable, target :: DiagVec(:,:)
integer, public, allocatable :: temp_freeslot(:)
integer, public :: temp_iendfreeslot
integer, public :: valid_diag_spawns
integer, public :: n_diag_spawned
integer, public :: nspawnMax
real(kind=dp), public, allocatable :: TotPartsStorage(:)
real(kind=dp), public, allocatable :: TotPartsLastAlpha(:)
integer(kind=TagIntType), public :: DiagVecTag = 0
integer, public :: runge_kutta_step
logical, public :: tLogTrajectory
logical, public :: tReadTrajectory
logical, public :: tLiveTrajectory
integer, public :: iunitCycLog
real(kind=dp), public, allocatable :: tauCache(:)
real(kind=dp), public, allocatable :: alphaCache(:)
character(len=255), public :: trajFile
logical, public :: tGenerateCoreSpace
logical, public :: tGZero
real(kind=dp), public :: wn_threshold
integer(kind=n_int), public, pointer :: core_space_buf(:,:)
integer, public :: csbuf_size
integer, public :: corespace_log_interval
type(ll_node), public, pointer :: ssht(:)

Derived Types

type, public ::  perturbed_state

Components

Type Visibility Attributes Name Initial
integer, public :: nDets
integer(kind=n_int), public, allocatable :: dets(:,:)

type, public ::  real_time_type

Components

Type Visibility Attributes Name Initial
real(kind=dp), public :: max_time = -1.0_dp
integer, public :: gf_type = 0
real(kind=dp), public :: damping = 0.0_dp
real(kind=dp), public :: time_angle = 0.0_dp
real(kind=dp), public :: quad_damp_fac = 0.0_dp