kim-api
2.3.1-git+v2.3.0-git-2-g378406f9.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API. More...
Functions/Subroutines | |
recursive subroutine, public | kim_get_number_of_compute_argument_names (number_of_compute_argument_names) |
Get the number of standard ComputeArgumentName's defined by the KIM API. More... | |
recursive subroutine, public | kim_get_compute_argument_name (index, compute_argument_name, ierr) |
Get the identity of each defined standard ComputeArgumentName. More... | |
recursive subroutine, public | kim_get_compute_argument_data_type (compute_argument_name, data_type, ierr) |
Get the DataType of each defined standard ComputeArgumentName. More... | |
Variables | |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_number_of_particles |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_particle_species_codes |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_particle_contributing |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_coordinates |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_partial_energy |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_partial_forces |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_partial_particle_energy |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_partial_virial |
type(kim_compute_argument_name_type), save, public, protected | kim_compute_argument_name_partial_particle_virial |
An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API.
recursive subroutine, public kim_compute_argument_name_module::kim_get_compute_argument_data_type | ( | type(kim_compute_argument_name_type), intent(in) | compute_argument_name, |
type(kim_data_type_type), intent(out) | data_type, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the DataType of each defined standard ComputeArgumentName.
Definition at line 385 of file kim_compute_argument_name_module.f90.
recursive subroutine, public kim_compute_argument_name_module::kim_get_compute_argument_name | ( | integer(c_int), intent(in) | index, |
type(kim_compute_argument_name_type), intent(out) | compute_argument_name, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the identity of each defined standard ComputeArgumentName.
Definition at line 355 of file kim_compute_argument_name_module.f90.
recursive subroutine, public kim_compute_argument_name_module::kim_get_number_of_compute_argument_names | ( | integer(c_int), intent(out) | number_of_compute_argument_names | ) |
Get the number of standard ComputeArgumentName's defined by the KIM API.
Definition at line 331 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_coordinates |
Definition at line 114 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_number_of_particles |
Definition at line 84 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_energy |
Definition at line 124 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_forces |
Definition at line 134 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_energy |
Definition at line 144 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_virial |
Definition at line 164 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_virial |
Definition at line 154 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_particle_contributing |
Definition at line 104 of file kim_compute_argument_name_module.f90.
type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_particle_species_codes |
Definition at line 94 of file kim_compute_argument_name_module.f90.