kim-api
2.3.0+v2.3.0.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Refresh routine. More...
Functions/Subroutines | |
recursive subroutine | kim_model_refresh_set_neighbor_list_pointers (model_refresh_handle, number_of_neighbor_lists, cutoffs, modelWillNotRequestNeighborsOfNoncontributingParticles) |
Set the Model's neighbor list data pointers. More... | |
recursive subroutine | kim_model_refresh_get_model_buffer_pointer (model_refresh_handle, ptr) |
Get the Model's buffer pointer within the Model object. More... | |
recursive subroutine | kim_model_refresh_log_entry (model_refresh_handle, log_verbosity, message) |
Write a log entry into the log file. More... | |
recursive subroutine | kim_model_refresh_to_string (model_refresh_handle, string) |
Get a string representing the internal state of the Model object. More... | |
Variables | |
type(kim_model_refresh_handle_type), save, public, protected | kim_model_refresh_null_handle |
NULL handle for use in comparisons. More... | |
Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Refresh routine.
recursive subroutine kim_model_refresh_module::kim_model_refresh_get_model_buffer_pointer | ( | type(kim_model_refresh_handle_type), intent(in) | model_refresh_handle, |
type(c_ptr), intent(out) | ptr | ||
) |
Get the Model's buffer pointer within the Model object.
Definition at line 238 of file kim_model_refresh_module.f90.
recursive subroutine kim_model_refresh_module::kim_model_refresh_log_entry | ( | type(kim_model_refresh_handle_type), intent(in) | model_refresh_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.
Definition at line 266 of file kim_model_refresh_module.f90.
recursive subroutine kim_model_refresh_module::kim_model_refresh_set_neighbor_list_pointers | ( | type(kim_model_refresh_handle_type), intent(in) | model_refresh_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 | modelWillNotRequestNeighborsOfNoncontributingParticles | ||
) |
Set the Model's neighbor list data pointers.
Definition at line 198 of file kim_model_refresh_module.f90.
recursive subroutine kim_model_refresh_module::kim_model_refresh_to_string | ( | type(kim_model_refresh_handle_type), intent(in) | model_refresh_handle, |
character(len=*, kind=c_char), intent(out) | string | ||
) |
Get a string representing the internal state of the Model object.
Definition at line 301 of file kim_model_refresh_module.f90.
type(kim_model_refresh_handle_type), save, public, protected kim_model_refresh_module::kim_model_refresh_null_handle |
NULL handle for use in comparisons.
Definition at line 66 of file kim_model_refresh_module.f90.