kim-api  2.1.4-git+v2.1.3-git-1-g7847914a.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Data Types | Functions/Subroutines | Variables
kim_compute_argument_name_module Module Reference

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
 

Detailed Description

An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API.

See also
KIM::ComputeArgumentName, KIM_ComputeArgumentName
Since
2.0

Function/Subroutine Documentation

◆ kim_get_compute_argument_data_type()

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.

See also
KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentDataType, KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType
Since
2.0

Definition at line 393 of file kim_compute_argument_name_module.f90.

◆ kim_get_compute_argument_name()

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.

See also
KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentName, KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName
Since
2.0

Definition at line 363 of file kim_compute_argument_name_module.f90.

◆ kim_get_number_of_compute_argument_names()

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.

See also
KIM::COMPUTE_ARGUMENT_NAME::GetNumberOfComputeArgumentNames, KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames
Since
2.0

Definition at line 338 of file kim_compute_argument_name_module.f90.

Variable Documentation

◆ kim_compute_argument_name_coordinates

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_coordinates

Definition at line 121 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_number_of_particles

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_number_of_particles

Definition at line 91 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_energy

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_energy

Definition at line 131 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_forces

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_forces

Definition at line 141 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_particle_energy

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_energy

Definition at line 151 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_particle_virial

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_virial

Definition at line 171 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_virial

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_virial

Definition at line 161 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_particle_contributing

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_particle_contributing

Definition at line 111 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_particle_species_codes

type(kim_compute_argument_name_type), save, public, protected kim_compute_argument_name_module::kim_compute_argument_name_particle_species_codes

Definition at line 101 of file kim_compute_argument_name_module.f90.