ftlm_neci Module

Uses

Contents

Variables

ftlm_hamil ftlm_vecs full_vec_ftlm ndets_ftlm disps_ftlm n_init_vecs_ftlm n_lanc_vecs_ftlm nbeta_ftlm ftlm_h_eigv ftlm_trace ftlm_e_num delta_beta_ftlm ftlm_unit

Subroutines

perform_ftlm init_ftlm gen_init_vec_ftlm subspace_expansion_lanczos calc_final_hamil_elem subspace_extraction_ftlm add_in_contribs_to_energy output_ftlm write_ftlm_testsuite_data end_ftlm

Variables

Type	Visibility	Attributes		Name		Initial
real(kind=dp),	public,	allocatable	::	ftlm_hamil(:,:)
real(kind=dp),	public,	allocatable	::	ftlm_vecs(:,:)
real(kind=dp),	public,	allocatable	::	full_vec_ftlm(:)
integer(kind=MPIArg),	public,	allocatable	::	ndets_ftlm(:)
integer(kind=MPIArg),	public,	allocatable	::	disps_ftlm(:)
integer,	public		::	n_init_vecs_ftlm
integer,	public		::	n_lanc_vecs_ftlm
integer,	public		::	nbeta_ftlm
real(kind=dp),	public,	allocatable	::	ftlm_h_eigv(:)
real(kind=dp),	public,	allocatable	::	ftlm_trace(:)
real(kind=dp),	public,	allocatable	::	ftlm_e_num(:)
real(kind=dp),	public		::	delta_beta_ftlm
integer,	public		::	ftlm_unit

Subroutines

public subroutine perform_ftlm()

Arguments

None

public subroutine init_ftlm()

Arguments

None

public subroutine gen_init_vec_ftlm()

Arguments

None

public subroutine subspace_expansion_lanczos(ivec, lanc_vecs, full_vec, proj_hamil, counts, disps)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ivec
real(kind=dp),	intent(inout)			::	lanc_vecs(:,:)
real(kind=dp),	intent(inout)			::	full_vec(:)
real(kind=dp),	intent(inout)			::	proj_hamil(:,:)
integer(kind=MPIArg),	intent(in)			::	counts(0:nProcessors-1)
integer(kind=MPIArg),	intent(in)			::	disps(0:nProcessors-1)

public subroutine calc_final_hamil_elem(lanc_vecs, full_vec, proj_hamil, counts, disps)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(inout)			::	lanc_vecs(:,:)
real(kind=dp),	intent(inout)			::	full_vec(:)
real(kind=dp),	intent(inout)			::	proj_hamil(:,:)
integer(kind=MPIArg),	intent(in)			::	counts(0:nProcessors-1)
integer(kind=MPIArg),	intent(in)			::	disps(0:nProcessors-1)

public subroutine subspace_extraction_ftlm()

Arguments

None

public subroutine add_in_contribs_to_energy()

Arguments

None

public subroutine output_ftlm()

Arguments

None

public subroutine write_ftlm_testsuite_data(h_sum)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	h_sum

public subroutine end_ftlm()

Arguments

None