kim-api
2.1.2+v2.1.2.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
|
Provides the interface to the KIM API Collections and is meant to be used by simulators. More...
Functions/Subroutines | |
recursive subroutine, public | kim_collections_create (collections_handle, ierr) |
Create a new KIM API Collections object. More... | |
recursive subroutine, public | kim_collections_destroy (collections_handle) |
Destroy a previously Collections::Create'd object. More... | |
recursive subroutine | kim_collections_get_item_library_file_name_and_collection (collections_handle, item_type, item_name, file_name, collection, ierr) |
Get the item's library file name and its KIM::Collection. More... | |
recursive subroutine | kim_collections_cache_list_of_item_metadata_files (collections_handle, item_type, item_name, extent, ierr) |
Cache a list of an item's metadata files. More... | |
recursive subroutine | kim_collections_get_item_metadata_file_length (collections_handle, index, file_length, available_as_string, ierr) |
Get item metadata file length and determine if the file is available as a string. More... | |
recursive subroutine | kim_collections_get_item_metadata_file_values (collections_handle, index, file_name, file_raw_data, file_string, ierr) |
Get the item's metadata file values. More... | |
recursive subroutine | kim_collections_cache_list_of_item_names_by_type (collections_handle, item_type, extent, ierr) |
Cache a list of all item names of a specific type in the KIM API collections. More... | |
recursive subroutine | kim_collections_get_item_name_by_type (collections_handle, index, item_name, ierr) |
Get the name of an item from the cached list. More... | |
recursive subroutine | kim_collections_cache_list_of_item_names_by_collection_and_type (collections_handle, collection, item_type, extent, ierr) |
Cache a list of all item names of a specific type in a specific collection. More... | |
recursive subroutine | kim_collections_get_item_name_by_collection_and_type (collections_handle, index, item_name, ierr) |
Get the name of an item from the cached list. More... | |
recursive subroutine | kim_collections_get_item_library_file_name_by_coll_and_type (collections_handle, collection, item_type, item_name, file_name, ierr) |
Get the item's library file name. More... | |
recursive subroutine | kim_colls_cache_list_of_item_metadata_files_by_coll_and_type (collections_handle, collection, item_type, item_name, extent, ierr) |
Cache a list of an item's metadata files. More... | |
recursive subroutine | kim_collections_get_item_metadata_file_length_by_coll_and_type (collections_handle, index, file_length, available_as_string, ierr) |
Get the name and content of one of an item's metadata files. More... | |
recursive subroutine | kim_collections_get_item_metadata_file_values_by_coll_and_type (collections_handle, index, file_name, file_raw_data, file_string, ierr) |
Get the item's metadata file values. More... | |
recursive subroutine | kim_collections_get_project_name_and_sem_ver (collections_handle, project_name, sem_ver) |
Get the KIM API project name and full Semantic Version string. More... | |
recursive subroutine | kim_collections_get_environment_variable_name (collections_handle, item_type, name, ierr) |
Get the names of environment variables that store configuration settings for the KIM::COLLECTION::environmentVariable collection. More... | |
recursive subroutine | kim_collections_get_configuration_file_environment_variable (collections_handle, name, value) |
Get the name and value of the environment variable that stores the name of the KIM API user configuration file. More... | |
recursive subroutine | kim_collections_get_configuration_file_name (collections_handle, file_name) |
Get the absolute file and path name of the KIM API user configuration file. More... | |
recursive subroutine | kim_collections_cache_list_of_directory_names (collections_handle, collection, item_type, extent, ierr) |
Cache a list of directory names where a specific KIM API collection stores library files for a specific item type. More... | |
recursive subroutine | kim_collections_get_directory_name (collections_handle, index, directory_name, ierr) |
Get the name of a directory from the cached list. More... | |
recursive subroutine | kim_collections_set_log_id (collections_handle, log_id) |
Set the identity of the Log object associated with the Collections object. More... | |
recursive subroutine | kim_collections_push_log_verbosity (collections_handle, log_verbosity) |
Push a new LogVerbosity onto the Collections object's Log object verbosity stack. More... | |
recursive subroutine | kim_collections_pop_log_verbosity (collections_handle) |
Pop a LogVerbosity from the Collections object's Log object verbosity stack. More... | |
Variables | |
type(kim_collections_handle_type), save, public, protected | kim_collections_null_handle |
NULL handle for use in comparisons. More... | |
Provides the interface to the KIM API Collections and is meant to be used by simulators.
recursive subroutine kim_collections_module::kim_collections_cache_list_of_directory_names | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_type), intent(in) | collection, | ||
type(kim_collection_item_type_type), intent(in) | item_type, | ||
integer(c_int), intent(out) | extent, | ||
integer(c_int), intent(out) | ierr | ||
) |
Cache a list of directory names where a specific KIM API collection stores library files for a specific item type.
Definition at line 1150 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_cache_list_of_item_metadata_files | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_item_type_type), intent(in) | item_type, | ||
character(len=*, kind=c_char), intent(in) | item_name, | ||
integer(c_int), intent(out) | extent, | ||
integer(c_int), intent(out) | ierr | ||
) |
Cache a list of an item's metadata files.
Definition at line 495 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_cache_list_of_item_names_by_collection_and_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_type), intent(in) | collection, | ||
type(kim_collection_item_type_type), intent(in) | item_type, | ||
integer(c_int), intent(out) | extent, | ||
integer(c_int), intent(out) | ierr | ||
) |
Cache a list of all item names of a specific type in a specific collection.
Definition at line 715 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_cache_list_of_item_names_by_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_item_type_type), intent(in) | item_type, | ||
integer(c_int), intent(out) | extent, | ||
integer(c_int), intent(out) | ierr | ||
) |
Cache a list of all item names of a specific type in the KIM API collections.
Definition at line 645 of file kim_collections_module.f90.
recursive subroutine, public kim_collections_module::kim_collections_create | ( | type(kim_collections_handle_type), intent(out) | collections_handle, |
integer(c_int), intent(out) | ierr | ||
) |
Create a new KIM API Collections object.
Definition at line 365 of file kim_collections_module.f90.
recursive subroutine, public kim_collections_module::kim_collections_destroy | ( | type(kim_collections_handle_type), intent(inout) | collections_handle | ) |
Destroy a previously Collections::Create'd object.
Definition at line 389 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_configuration_file_environment_variable | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
character(len=*, kind=c_char), intent(out) | name, | ||
character(len=*, kind=c_char), intent(out) | value | ||
) |
Get the name and value of the environment variable that stores the name of the KIM API user configuration file.
Definition at line 1082 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_configuration_file_name | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
character(len=*, kind=c_char), intent(out) | file_name | ||
) |
Get the absolute file and path name of the KIM API user configuration file.
Definition at line 1118 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_directory_name | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
integer(c_int), intent(in) | index, | ||
character(len=*, kind=c_char), intent(out) | directory_name, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the name of a directory from the cached list.
Definition at line 1189 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_environment_variable_name | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_item_type_type), intent(in) | item_type, | ||
character(len=*, kind=c_char), intent(out) | name, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the names of environment variables that store configuration settings for the KIM::COLLECTION::environmentVariable collection.
Definition at line 1042 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_library_file_name_and_collection | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_item_type_type), intent(in) | item_type, | ||
character(len=*, kind=c_char), intent(in) | item_name, | ||
character(len=*, kind=c_char), intent(out) | file_name, | ||
type(kim_collection_type), intent(out) | collection, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the item's library file name and its KIM::Collection.
Definition at line 448 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_library_file_name_by_coll_and_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_type), intent(in) | collection, | ||
type(kim_collection_item_type_type), intent(in) | item_type, | ||
character(len=*, kind=c_char), intent(in) | item_name, | ||
character(len=*, kind=c_char), intent(out) | file_name, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the item's library file name.
Definition at line 795 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_metadata_file_length | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
integer(c_int), intent(in) | index, | ||
integer(c_long), intent(out) | file_length, | ||
integer(c_int), intent(out) | available_as_string, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get item metadata file length and determine if the file is available as a string.
Definition at line 534 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_metadata_file_length_by_coll_and_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
integer(c_int), intent(in), value | index, | ||
integer(c_long), intent(out) | file_length, | ||
integer(c_int), intent(out) | available_as_string, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the name and content of one of an item's metadata files.
Definition at line 888 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_metadata_file_values | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
integer(c_int), intent(in) | index, | ||
character(len=*, kind=c_char), intent(out) | file_name, | ||
integer(c_signed_char), dimension(:), intent(out) | file_raw_data, | ||
character(len=*, kind=c_char), intent(out) | file_string, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the item's metadata file values.
Definition at line 575 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_metadata_file_values_by_coll_and_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
integer(c_int), intent(in) | index, | ||
character(len=*, kind=c_char), intent(out) | file_name, | ||
integer(c_signed_char), dimension(:), intent(out) | file_raw_data, | ||
character(len=*, kind=c_char), intent(out) | file_string, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the item's metadata file values.
Definition at line 933 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_name_by_collection_and_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
integer(c_int), intent(in) | index, | ||
character(len=*, kind=c_char), intent(out) | item_name, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the name of an item from the cached list.
Definition at line 756 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_item_name_by_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
integer(c_int), intent(in) | index, | ||
character(len=*, kind=c_char), intent(out) | item_name, | ||
integer(c_int), intent(out) | ierr | ||
) |
Get the name of an item from the cached list.
Definition at line 679 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_get_project_name_and_sem_ver | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
character(len=*, kind=c_char), intent(out) | project_name, | ||
character(len=*, kind=c_char), intent(out) | sem_ver | ||
) |
Get the KIM API project name and full Semantic Version string.
Definition at line 1006 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_pop_log_verbosity | ( | type(kim_collections_handle_type), intent(in) | collections_handle | ) |
Pop a LogVerbosity from the Collections object's Log object verbosity stack.
Definition at line 1278 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_push_log_verbosity | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_log_verbosity_type), intent(in) | log_verbosity | ||
) |
Push a new LogVerbosity onto the Collections object's Log object verbosity stack.
Definition at line 1250 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_collections_set_log_id | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
character(len=*, kind=c_char), intent(in) | log_id | ||
) |
Set the identity of the Log object associated with the Collections object.
Definition at line 1223 of file kim_collections_module.f90.
recursive subroutine kim_collections_module::kim_colls_cache_list_of_item_metadata_files_by_coll_and_type | ( | type(kim_collections_handle_type), intent(in) | collections_handle, |
type(kim_collection_type), intent(in) | collection, | ||
type(kim_collection_item_type_type), intent(in) | item_type, | ||
character(len=*, kind=c_char), intent(in) | item_name, | ||
integer(c_int), intent(out) | extent, | ||
integer(c_int), intent(out) | ierr | ||
) |
Cache a list of an item's metadata files.
Definition at line 844 of file kim_collections_module.f90.
type(kim_collections_handle_type), save, public, protected kim_collections_module::kim_collections_null_handle |
NULL handle for use in comparisons.
Definition at line 92 of file kim_collections_module.f90.