kim-api 2.3.0+AppleClang.AppleClang.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...
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... | |
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 | ||
) |
GetComputeArgumentDataType
Definition at line 382 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 | ||
) |
GetComputeArgumentName
Definition at line 353 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 | ) |
GetNumberOfComputeArgumentNames
Definition at line 329 of file kim_compute_argument_name_module.f90.
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.
Definition at line 114 of file kim_compute_argument_name_module.f90.
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.
Definition at line 84 of file kim_compute_argument_name_module.f90.
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.
Definition at line 124 of file kim_compute_argument_name_module.f90.
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.
Definition at line 134 of file kim_compute_argument_name_module.f90.
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.
Definition at line 144 of file kim_compute_argument_name_module.f90.
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.
Definition at line 164 of file kim_compute_argument_name_module.f90.
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.
Definition at line 154 of file kim_compute_argument_name_module.f90.
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.
Definition at line 104 of file kim_compute_argument_name_module.f90.
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.
Definition at line 94 of file kim_compute_argument_name_module.f90.