verlet_aux Module

Contents

Subroutines

init_verlet_sweep check_verlet_sweep end_verlet_sweep build_initial_delta_psi setup_delta_psi backup_initial_state init_verlet_iteration obtain_h2_psi apply_hamiltonian perform_spawn create_diagonal_with_hashtable generate_spawn_buf add_semistoch_spawns merge_ilut_lists update_delta_psi set_initiator_flags_array

Subroutines

public subroutine init_verlet_sweep()

Arguments

None

public subroutine check_verlet_sweep(iterRK)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(inout)			::	iterRK

public subroutine end_verlet_sweep()

Arguments

None

public subroutine build_initial_delta_psi()

Arguments

None

public subroutine setup_delta_psi()

Arguments

None

public subroutine backup_initial_state()

Arguments

None

public subroutine init_verlet_iteration()

Arguments

None

public subroutine obtain_h2_psi()

Arguments

None

public subroutine apply_hamiltonian(population, popsize, tGetFreeSlots, tGetInitflags, tSumE)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	population(0:,1:)
integer,	intent(in)			::	popsize
logical,	intent(in)			::	tGetFreeSlots
logical,	intent(in)			::	tGetInitflags
logical,	intent(in)			::	tSumE

public subroutine perform_spawn(ilut_parent, nI, parent_sign, hdiag, tCoreDet)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut_parent(0:niftot)
integer,	intent(in)			::	nI(nel)
real(kind=dp),	intent(in)			::	parent_sign(lenof_sign)
real(kind=dp),	intent(in)			::	hdiag
logical,	intent(in)			::	tCoreDet

public subroutine create_diagonal_with_hashtable(nI, iLut, sign, err)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	iLut(0:niftot)
real(kind=dp),	intent(in)			::	sign(lenof_sign)
integer,	intent(out)			::	err

public subroutine generate_spawn_buf()

Arguments

None

public subroutine add_semistoch_spawns(population, populationSize, hashTable, maxSize, sourcePopulation)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	population(:,:)
integer,	intent(inout)			::	populationSize
type(ll_node),	intent(inout),		pointer	::	hashTable(:)
integer,	intent(in)			::	maxSize
integer(kind=n_int),	intent(in)			::	sourcePopulation(:,:)

public subroutine merge_ilut_lists(listA, listB, hashTable, sizeA, sizeB, maxSizeA)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	listA(0:,1:)
integer(kind=n_int),	intent(in)			::	listB(0:,1:)
type(ll_node),	intent(inout),		pointer	::	hashTable(:)
integer,	intent(inout)			::	sizeA
integer,	intent(in)			::	sizeB
integer,	intent(in)			::	maxSizeA

public subroutine update_delta_psi()

Arguments

None

public subroutine set_initiator_flags_array(list, listSize)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	list(0:,1:)
integer,	intent(in)			::	listSize