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 597 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 671 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 260 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
	)

Set the Model's buffer pointer within the Model object.

See also

KIM::ModelCreate::SetModelBufferPointer, KIM_ModelCreate_SetModelBufferPointer

Since

2.0

Definition at line 516 of file kim_model_create_module.f90.

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 291 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 461 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 405 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 330 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 371 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 544 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 72 of file kim_model_create_module.f90.