kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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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...

Data Types

type  kim_compute_argument_name_type
 An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API. More...
 
interface  kim_from_string
 ComputeArgumentName(std::string const &) More...
 
interface  kim_known
 Determines if the object is a quantity known to the KIM API. More...
 
interface  kim_to_string
 Converts the object to a string. More...
 

Functions/Subroutines

recursive subroutine, public kim_get_number_of_compute_argument_names (number_of_compute_argument_names)
 GetNumberOfComputeArgumentNames More...
 
recursive subroutine, public kim_get_compute_argument_name (index, compute_argument_name, ierr)
 GetComputeArgumentName More...
 
recursive subroutine, public kim_get_compute_argument_data_type (compute_argument_name, data_type, ierr)
 GetComputeArgumentDataType More...
 

Variables

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles"), public, protected kim_compute_argument_name_number_of_particles
 The standard numberOfParticles argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes"), public, protected kim_compute_argument_name_particle_species_codes
 The standard particleSpeciesCodes argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_particleContributing"), public, protected kim_compute_argument_name_particle_contributing
 The standard particleContributing argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_coordinates"), public, protected kim_compute_argument_name_coordinates
 The standard coordinates argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialEnergy"), public, protected kim_compute_argument_name_partial_energy
 The standard partialEnergy argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialForces"), public, protected kim_compute_argument_name_partial_forces
 The standard partialForces argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy"), public, protected kim_compute_argument_name_partial_particle_energy
 The standard partialParticleEnergy argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialVirial"), public, protected kim_compute_argument_name_partial_virial
 The standard partialVirial argument. More...
 
type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial"), public, protected kim_compute_argument_name_partial_particle_virial
 The standard partialParticleVirial argument. More...
 

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 
)

◆ 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 
)

◆ 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)

Variable Documentation

◆ kim_compute_argument_name_coordinates

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_coordinates"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_coordinates

The standard coordinates argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::coordinates, KIM_COMPUTE_ARGUMENT_NAME_coordinates
Since
2.0

Definition at line 114 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_number_of_particles

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_number_of_particles

The standard numberOfParticles argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::numberOfParticles, KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles
Since
2.0

Definition at line 84 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_energy

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialEnergy"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_energy

The standard partialEnergy argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::partialEnergy, KIM_COMPUTE_ARGUMENT_NAME_partialEnergy
Since
2.0

Definition at line 124 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_forces

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialForces"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_forces

The standard partialForces argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::partialForces, KIM_COMPUTE_ARGUMENT_NAME_partialForces
Since
2.0

Definition at line 134 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_particle_energy

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_energy

The standard partialParticleEnergy argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::partialParticleEnergy, KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy
Since
2.0

Definition at line 144 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_particle_virial

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_particle_virial

The standard partialParticleVirial argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial, KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial
Since
2.0

Definition at line 164 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_partial_virial

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_partialVirial"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_partial_virial

The standard partialVirial argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::partialVirial, KIM_COMPUTE_ARGUMENT_NAME_partialVirial
Since
2.0

Definition at line 154 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_particle_contributing

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_particleContributing"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_particle_contributing

The standard particleContributing argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::particleContributing, KIM_COMPUTE_ARGUMENT_NAME_particleContributing
Since
2.0

Definition at line 104 of file kim_compute_argument_name_module.f90.

◆ kim_compute_argument_name_particle_species_codes

type(kim_compute_argument_name_type), save, bind(C, name="KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes"), public, protected kim_compute_argument_name_module::kim_compute_argument_name_particle_species_codes

The standard particleSpeciesCodes argument.

See also
KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes, KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes
Since
2.0

Definition at line 94 of file kim_compute_argument_name_module.f90.