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_model_create_module Module Reference

Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Create routine. More...

Functions/Subroutines

recursive subroutine kim_model_create_set_influence_distance_pointer (model_create_handle, influence_distance)
 Set the Model's influence distance data pointer. More...
 
recursive subroutine kim_model_create_set_neighbor_list_pointers (model_create_handle, number_of_neighbor_lists, cutoffs, model_will_not_request_neighbors_of_noncontributing_particles)
 Set the Model's neighbor list data pointers. More...
 
recursive subroutine kim_model_create_set_routine_pointer (model_create_handle, model_routine_name, language_name, required, fptr, ierr)
 Set the function pointer for the ModelRoutineName of interest. More...
 
recursive subroutine kim_model_create_set_species_code (model_create_handle, species_name, code, ierr)
 Set integer code for supported SpeciesName. More...
 
recursive subroutine kim_model_create_set_parameter_pointer_integer (model_create_handle, int1, name, description, ierr)
 Set the next parameter data pointer to be provided by the model. More...
 
recursive subroutine kim_model_create_set_parameter_pointer_double (model_create_handle, double1, name, description, ierr)
 Set the next parameter data pointer to be provided by the model. More...
 
recursive subroutine kim_model_create_set_model_buffer_pointer (model_create_handle, ptr)
 Set the Model's buffer pointer within the Model object. More...
 
recursive subroutine kim_model_create_set_units (model_create_handle, length_unit, energy_unit, charge_unit, temperature_unit, time_unit, ierr)
 Set the Model's base unit values. More...
 
recursive subroutine kim_model_create_convert_unit (from_length_unit, from_energy_unit, from_charge_unit, from_temperature_unit, from_time_unit, to_length_unit, to_energy_unit, to_charge_unit, to_temperature_unit, to_time_unit, length_exponent, energy_exponent, charge_exponent, temperature_exponent, time_exponent, conversion_factor, ierr)
 Get the multiplicative factor to convert between a derived unit represented in two different sets of base units. More...
 
recursive subroutine kim_model_create_log_entry (model_create_handle, log_verbosity, message)
 Write a log entry into the log file. More...
 
recursive subroutine kim_model_create_to_string (model_create_handle, string)
 Get a string representing the internal state of the Model object. More...
 

Variables

type(kim_model_create_handle_type), save, public, protected kim_model_create_null_handle
 NULL handle for use in comparisons. More...
 

Detailed Description

Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Create routine.

See also
KIM::ModelCreate, KIM_ModelCreate
Since
2.0

Function/Subroutine Documentation

◆ kim_model_create_convert_unit()

recursive subroutine kim_model_create_module::kim_model_create_convert_unit ( type(kim_length_unit_type), intent(in)  from_length_unit,
type(kim_energy_unit_type), intent(in)  from_energy_unit,
type(kim_charge_unit_type), intent(in)  from_charge_unit,
type(kim_temperature_unit_type), intent(in)  from_temperature_unit,
type(kim_time_unit_type), intent(in)  from_time_unit,
type(kim_length_unit_type), intent(in)  to_length_unit,
type(kim_energy_unit_type), intent(in)  to_energy_unit,
type(kim_charge_unit_type), intent(in)  to_charge_unit,
type(kim_temperature_unit_type), intent(in)  to_temperature_unit,
type(kim_time_unit_type), intent(in)  to_time_unit,
real(c_double), intent(in)  length_exponent,
real(c_double), intent(in)  energy_exponent,
real(c_double), intent(in)  charge_exponent,
real(c_double), intent(in)  temperature_exponent,
real(c_double), intent(in)  time_exponent,
real(c_double), intent(out)  conversion_factor,
integer(c_int), intent(out)  ierr 
)

Get the multiplicative factor to convert between a derived unit represented in two different sets of base units.

See also
KIM::ModelCreate::ConvertUnit, KIM_ModelCreate_ConvertUnit
Since
2.0

Definition at line 599 of file kim_model_create_module.f90.

◆ kim_model_create_log_entry()

recursive subroutine kim_model_create_module::kim_model_create_log_entry ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
type(kim_log_verbosity_type), intent(in)  log_verbosity,
character(len=*, kind=c_char), intent(in)  message 
)

Write a log entry into the log file.

See also
KIM::ModelCreate::LogEntry, KIM_ModelCreate_LogEntry
Since
2.0

Definition at line 672 of file kim_model_create_module.f90.

◆ kim_model_create_set_influence_distance_pointer()

recursive subroutine kim_model_create_module::kim_model_create_set_influence_distance_pointer ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
real(c_double), intent(in), target  influence_distance 
)

Set the Model's influence distance data pointer.

See also
KIM::ModelCreate::SetInfluenceDistancePointer, KIM_ModelCreate_SetInfluenceDistancePointer
Since
2.0

Definition at line 266 of file kim_model_create_module.f90.

◆ kim_model_create_set_model_buffer_pointer()

recursive subroutine kim_model_create_module::kim_model_create_set_model_buffer_pointer ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
type(c_ptr), intent(in)  ptr 
)

◆ kim_model_create_set_neighbor_list_pointers()

recursive subroutine kim_model_create_module::kim_model_create_set_neighbor_list_pointers ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
integer(c_int), intent(in)  number_of_neighbor_lists,
real(c_double), dimension(number_of_neighbor_lists), intent(in), target  cutoffs,
integer(c_int), dimension( number_of_neighbor_lists), intent(in), target  model_will_not_request_neighbors_of_noncontributing_particles 
)

Set the Model's neighbor list data pointers.

See also
KIM::ModelCreate::SetNeighborListPointers, KIM_ModelCreate_SetNeighborListPointers
Since
2.0

Definition at line 297 of file kim_model_create_module.f90.

◆ kim_model_create_set_parameter_pointer_double()

recursive subroutine kim_model_create_module::kim_model_create_set_parameter_pointer_double ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
real(c_double), dimension(:), intent(in), target  double1,
character(len=*, kind=c_char), intent(in)  name,
character(len=*, kind=c_char), intent(in)  description,
integer(c_int), intent(out)  ierr 
)

Set the next parameter data pointer to be provided by the model.

See also
KIM::ModelCreate::SetParameterPointer, KIM_ModelCreate_SetParameterPointerDouble
Since
2.0

Definition at line 465 of file kim_model_create_module.f90.

◆ kim_model_create_set_parameter_pointer_integer()

recursive subroutine kim_model_create_module::kim_model_create_set_parameter_pointer_integer ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
integer(c_int), dimension(:), intent(in), target  int1,
character(len=*, kind=c_char), intent(in)  name,
character(len=*, kind=c_char), intent(in)  description,
integer(c_int), intent(out)  ierr 
)

Set the next parameter data pointer to be provided by the model.

See also
KIM::ModelCreate::SetParameterPointer, KIM_ModelCreate_SetParameterPointerInteger
Since
2.0

Definition at line 411 of file kim_model_create_module.f90.

◆ kim_model_create_set_routine_pointer()

recursive subroutine kim_model_create_module::kim_model_create_set_routine_pointer ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
type(kim_model_routine_name_type), intent(in)  model_routine_name,
type(kim_language_name_type), intent(in)  language_name,
integer(c_int), intent(in)  required,
type(c_funptr), intent(in), value  fptr,
integer(c_int), intent(out)  ierr 
)

Set the function pointer for the ModelRoutineName of interest.

See also
KIM::ModelCreate::SetRoutinePointer, KIM_ModelCreate_SetRoutinePointer
Since
2.0

Definition at line 336 of file kim_model_create_module.f90.

◆ kim_model_create_set_species_code()

recursive subroutine kim_model_create_module::kim_model_create_set_species_code ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
type(kim_species_name_type), intent(in)  species_name,
integer(c_int), intent(in)  code,
integer(c_int), intent(out)  ierr 
)

Set integer code for supported SpeciesName.

See also
KIM::ModelCreate::SetSpeciesCode, KIM_ModelCreate_SetSpeciesCode
Since
2.0

Definition at line 377 of file kim_model_create_module.f90.

◆ kim_model_create_set_units()

recursive subroutine kim_model_create_module::kim_model_create_set_units ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
type(kim_length_unit_type), intent(in)  length_unit,
type(kim_energy_unit_type), intent(in)  energy_unit,
type(kim_charge_unit_type), intent(in)  charge_unit,
type(kim_temperature_unit_type), intent(in)  temperature_unit,
type(kim_time_unit_type), intent(in)  time_unit,
integer(c_int), intent(out)  ierr 
)

Set the Model's base unit values.

See also
KIM::ModelCreate::SetUnits, KIM_ModelCreate_SetUnits
Since
2.0

Definition at line 545 of file kim_model_create_module.f90.

◆ kim_model_create_to_string()

recursive subroutine kim_model_create_module::kim_model_create_to_string ( type(kim_model_create_handle_type), intent(in)  model_create_handle,
character(len=*, kind=c_char), intent(out)  string 
)

Get a string representing the internal state of the Model object.

See also
KIM::ModelCreate::ToString, KIM_ModelCreate_ToString
Since
2.0

Definition at line 705 of file kim_model_create_module.f90.

Variable Documentation

◆ kim_model_create_null_handle

type(kim_model_create_handle_type), save, public, protected kim_model_create_module::kim_model_create_null_handle

NULL handle for use in comparisons.

Since
2.0

Definition at line 79 of file kim_model_create_module.f90.