m_psml_parsing_helpers Module

  1. m_psml_parsing_helpers.F90
  2. m_psml_parsing_helpers

Uses


Contents

Variables

Functions

Subroutines


Variables

TypeVisibility AttributesNameInitial
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:: 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(ps_annotation_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(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 AttributesName
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 AttributesName
character(len=*), intent(in) :: name
type(dictionary_t), intent(in) :: attributes

public subroutine end_element(name)

Arguments

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

public subroutine pcdata_chunk(chunk)

Arguments

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

public subroutine cdata_section_chunk(chunk)

Arguments

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

private subroutine save_annotation(atts, annotation)

Arguments

Type IntentOptional AttributesName
type(dictionary_t), intent(in) :: atts
type(ps_annotation_t), intent(out) :: annotation