c_interop Module


Uses

  • module~~c_interop~~UsesGraph module~c_interop c_interop iso_c_binding iso_c_binding module~c_interop->iso_c_binding module~messages messages module~c_interop->module~messages module~types types module~c_interop->module~types comm_IOFILE comm_IOFILE module~messages->comm_IOFILE comm_PAR comm_PAR module~messages->comm_PAR module~io_constants io_constants module~messages->module~io_constants module~precision precision module~messages->module~precision module~types->iso_c_binding module~atomic_structure_m atomic_structure_m module~types->module~atomic_structure_m module~basis_tools basis_tools module~types->module~basis_tools module~functionals functionals module~types->module~functionals module~parallel parallel module~types->module~parallel module~types->module~precision tagarray tagarray module~types->tagarray module~atomic_structure_m->iso_c_binding module~basis_tools->module~atomic_structure_m module~basis_tools->module~io_constants module~basis_tools->module~parallel module~basis_tools->module~precision iso_fortran_env iso_fortran_env module~basis_tools->iso_fortran_env module~constants constants module~basis_tools->module~constants module~functionals->iso_c_binding module~functionals->module~precision xc_f03_lib_m xc_f03_lib_m module~functionals->xc_f03_lib_m module~parallel->iso_c_binding module~parallel->module~precision module~parallel->iso_fortran_env mpi mpi module~parallel->mpi module~precision->iso_fortran_env module~constants->module~precision

Used by

  • module~~c_interop~~UsedByGraph module~c_interop c_interop proc~apply_basis_c apply_basis_C proc~apply_basis_c->module~c_interop proc~get_state_overlap_c get_state_overlap_C proc~get_state_overlap_c->module~c_interop proc~get_structures_ao_overlap_c get_structures_ao_overlap_C proc~get_structures_ao_overlap_c->module~c_interop proc~guess_hcore_c guess_hcore_C proc~guess_hcore_c->module~c_interop proc~guess_huckel_c guess_huckel_C proc~guess_huckel_c->module~c_interop proc~guess_json_c guess_json_C proc~guess_json_c->module~c_interop proc~oqp_banner_c oqp_banner_C proc~oqp_banner_c->module~c_interop proc~resp_charges_c resp_charges_C proc~resp_charges_c->module~c_interop proc~tdhf_energy_c tdhf_energy_C proc~tdhf_energy_c->module~c_interop proc~tdhf_gradient_c tdhf_gradient_C proc~tdhf_gradient_c->module~c_interop proc~tdhf_mrsf_energy_c tdhf_mrsf_energy_C proc~tdhf_mrsf_energy_c->module~c_interop proc~tdhf_sf_energy_c tdhf_sf_energy_C proc~tdhf_sf_energy_c->module~c_interop proc~tdhf_z_vector_c tdhf_z_vector_C proc~tdhf_z_vector_c->module~c_interop

Interfaces

public interface oqp_handle_get_info

  • private function oqp_handle_get_info_f(f_handle) result(res)

    Arguments

    Type IntentOptional Attributes Name
    type(oqp_handle_t), target :: f_handle

    Return Value type(information), pointer

  • private function oqp_handle_get_info_c(c_handle) result(res)

    Arguments

    Type IntentOptional Attributes Name
    type(c_ptr) :: c_handle

    Return Value type(information), pointer


Derived Types

type, public, bind(C) ::  oqp_handle_t

Components

Type Visibility Attributes Name Initial
type(c_ptr), public :: inf
type(c_ptr), public :: xyz
type(c_ptr), public :: qn
type(c_ptr), public :: mass
type(c_ptr), public :: grad
type(c_ptr), public :: mol_prop
type(c_ptr), public :: mol_energy
type(c_ptr), public :: dft
type(c_ptr), public :: tddft
type(c_ptr), public :: control
type(c_ptr), public :: mpiinfo
type(c_ptr), public :: elshell

Functions

public function oqp_init() result(res) bind(C, name='oqp_init'))

Arguments

None

Return Value type(c_ptr)


Subroutines

public subroutine oqp_handle_refresh_ptr(c_handle)

Arguments

Type IntentOptional Attributes Name
type(oqp_handle_t), intent(inout) :: c_handle