m_psml_parsing_helpers Module


Uses


Contents

Variables

Functions

Subroutines


Variables

Type Visibility Attributes Name Initial
type(ps_t), public, pointer, save :: pseudo => null()
logical, public, save :: debug_parsing = .false.
logical, private, save :: in_psml = .false.
logical, private, save :: in_slps = .false.
logical, private, save :: in_radfunc = .false.
logical, private, save :: in_semilocal = .false.
logical, private, save :: in_header = .false.
logical, private, save :: in_coreCharge = .false.
logical, private, save :: in_data = .false.
logical, private, save :: in_grid_data = .false.
logical, private, save :: in_grid = .false.
logical, private, save :: in_valenceCharge = .false.
logical, private, save :: in_provenance = .false.
logical, private, save :: in_input_file = .false.
logical, private, save :: in_valence_config = .false.
logical, private, save :: in_xc = .false.
logical, private, save :: in_libxc_info = .false.
logical, private, save :: in_pseudowavefun = .false.
logical, private, save :: in_pswf = .false.
logical, private, save :: in_chlocal = .false.
logical, private, save :: in_nonlocal = .false.
logical, private, save :: in_proj = .false.
logical, private, save :: in_local_potential = .false.
logical, private, save :: in_valenceKE = .false.
logical, private, save :: in_coreKE = .false.
logical, private, save :: got_explicit_grid_data
integer, private, save :: ndata
integer, private, save :: ndata_grid
integer, private, save :: n_funct
character(len=20), private, save :: current_wf_set
character(len=20), private, save :: current_sl_set
character(len=20), private, save :: current_proj_set
character(len=40), private, save :: top_flavor
integer, private, parameter :: dp = selected_real_kind(14)
real(kind=dp), private, save :: zval_generation
type(Grid), private, save :: tmp_grid
real(kind=dp), private, save, pointer :: gdata(:) => null()
type(assoc_list_t), private, save, pointer :: gannot => null()
type(provenance_t), private, pointer :: pp => null()
type(provenance_t), private, pointer :: qp => null()
type(input_file_t), private, pointer :: ifp => null()
type(header_t), private, pointer :: hp => null()
type(config_val_t), private, pointer :: cp => null()
type(xc_t), private, pointer :: xp => null()
type(wfns_t), private, pointer :: wfp => null()
type(wfns_t), private, pointer :: qwfp => null()
type(wf_t), private, pointer :: wfpp => null()
type(wf_t), private, pointer :: qwfpp => null()
type(semilocal_t), private, pointer :: slp => null()
type(semilocal_t), private, pointer :: qslp => null()
type(slps_t), private, pointer :: slvp => null()
type(slps_t), private, pointer :: qslvp => null()
type(local_t), private, pointer :: lop => null()
type(nonlocal_t), private, pointer :: nlp => null()
type(nonlocal_t), private, pointer :: qnlp => null()
type(nlpj_t), private, pointer :: nlpp => null()
type(nlpj_t), private, pointer :: qnlpp => null()
type(valence_charge_t), private, pointer :: valp => null()
type(core_charge_t), private, pointer :: corep => null()
type(valence_kinetic_energy_density_t), private, pointer :: valKEp => null()
type(core_kinetic_energy_density_t), private, pointer :: coreKEp => null()
type(radfunc_t), private, pointer :: rp => null()
character(len=100), private, save :: parent_element = ""
integer, private :: npts_data

Functions

private function approx(x, y, tol) result(is_close)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: x
real(kind=dp), intent(in) :: y
real(kind=dp), intent(in) :: tol

Return Value logical


Subroutines

public subroutine begin_element(name, attributes)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: name
type(dictionary_t), intent(in) :: attributes

public subroutine end_element(name)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: name

public subroutine pcdata_chunk(chunk)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: chunk

public subroutine cdata_section_chunk(chunk)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: chunk

private subroutine save_annotation(atts, annotation)

Arguments

Type IntentOptional Attributes Name
type(dictionary_t), intent(in) :: atts
type(assoc_list_t), intent(out) :: annotation