w90_library_c Module
Uses
Derived Types
type, public, bind(c) :: w90_data
Components
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| type(c_ptr), | public | :: | caddr |
Subroutines
public subroutine w90_create(w90_obj) bind(c)
return a c-pointer to a instance of the wannier90 library data structure
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data) | :: | w90_obj |
public subroutine w90_delete(w90_obj) bind(c)
deallocates/clears a c-pointer to a instance of the wannier90 library data structure
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data) | :: | w90_obj |
public subroutine w90_get_nk(w90_obj, n) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | n |
public subroutine w90_get_nw(w90_obj, n) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | n |
public subroutine w90_get_nn(w90_obj, n, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | n | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_get_gkpb(w90_obj, gkpb, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | gkpb | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_get_nnkp(w90_obj, nnkp, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | nnkp | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_input_setopt_f(w90_obj, seedname, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | seedname | ||||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_input_reader(w90_obj, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_project_overlap(w90_obj, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_print_info(w90_obj, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_set_eigval(w90_obj, eigval_cptr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | eigval_cptr |
public subroutine w90_set_m_local(w90_obj, m_cptr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | m_cptr |
public subroutine w90_set_u_matrix(w90_obj, a_cptr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | a_cptr |
public subroutine w90_set_u_opt(w90_obj, a_cptr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | a_cptr |
public subroutine w90_disentangle(w90_obj, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_wannierise(w90_obj, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_get_centres(w90_obj, centres) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | centres |
public subroutine w90_get_spreads(w90_obj, spreads) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | spreads |
public subroutine w90_get_nproj(w90_obj, n) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | n |
public subroutine w90_get_proj(w90_obj, n, site, l, m, s, rad, x, z, sqa, zona, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | n | |||
| type(c_ptr), | value | :: | site | |||
| type(c_ptr), | value | :: | l | |||
| type(c_ptr), | value | :: | m | |||
| type(c_ptr), | value | :: | s | |||
| type(c_ptr), | value | :: | rad | |||
| type(c_ptr), | value | :: | x | |||
| type(c_ptr), | value | :: | z | |||
| type(c_ptr), | value | :: | sqa | |||
| type(c_ptr), | value | :: | zona | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_get_num_excl_bands(w90_obj, num_excl_bands) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | num_excl_bands |
public subroutine w90_get_excl_bands(w90_obj, excl_bands, ierr) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| type(c_ptr), | value | :: | excl_bands | |||
| integer(kind=c_int) | :: | ierr |
public subroutine w90_set_option_double_f(w90_obj, keyword, cdble) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| real(kind=c_double), | value | :: | cdble |
public subroutine w90_set_option_double1d_f(w90_obj, keyword, arg_cptr, x) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| type(c_ptr), | value | :: | arg_cptr | |||
| integer(kind=c_int), | value | :: | x |
public subroutine w90_set_option_double2d_f(w90_obj, keyword, arg_cptr, x, y) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| type(c_ptr), | value | :: | arg_cptr | |||
| integer(kind=c_int), | value | :: | x | |||
| integer(kind=c_int), | value | :: | y |
public subroutine w90_set_option_int_f(w90_obj, keyword, cint) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| integer(kind=c_int), | value | :: | cint |
public subroutine w90_set_option_int1d_f(w90_obj, keyword, arg_cptr, x) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| type(c_ptr), | value | :: | arg_cptr | |||
| integer(kind=c_int), | value | :: | x |
public subroutine w90_set_option_int2d_f(w90_obj, keyword, arg_cptr, x, y) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| type(c_ptr), | value | :: | arg_cptr | |||
| integer(kind=c_int), | value | :: | x | |||
| integer(kind=c_int), | value | :: | y |
public subroutine w90_set_option_logical_f(w90_obj, keyword, boolarg) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| logical(kind=c_bool), | value | :: | boolarg |
public subroutine w90_set_option_text_f(w90_obj, keyword, text) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*) | :: | keyword | ||||
| character(kind=c_char, len=*) | :: | text |
public subroutine w90_set_option_text2d_f(w90_obj, keyword, text) bind(c)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(w90_data), | value | :: | w90_obj | |||
| character(kind=c_char, len=*), | intent(in) | :: | keyword | |||
| character(kind=c_char, len=*), | intent(in) | :: | text(:) |