Clean up the code (96615ea9) · Commits · 郑智淋 / lammps

src/KIM/kim_init.cpp

+11 −19

Original line number	Diff line number	Diff line
		@@ -123,8 +123,8 @@ void KimInit::command(int narg, char **arg)
		do_init(model_name, user_units, model_units, pkim);
		}


		/* ---------------------------------------------------------------------- */

		namespace {
		void get_kim_unit_names(
		char const * const system,
		@@ -172,6 +172,7 @@ void get_kim_unit_names(
		}
		}
		} // namespace

		void KimInit::determine_model_type_and_units(char * model_name,
		char * user_units,
		char ** model_units,
		@@ -198,8 +199,7 @@ void KimInit::determine_model_type_and_units(char * model_name,
		KIM_Collections_Destroy(&kim_Coll);

		if (KIM_CollectionItemType_Equal(itemType,
		KIM_COLLECTION_ITEM_TYPE_portableModel))
		{
		KIM_COLLECTION_ITEM_TYPE_portableModel)) {
		get_kim_unit_names(user_units, lengthUnit, energyUnit,
		chargeUnit, temperatureUnit, timeUnit, error);
		int kim_error = KIM_Model_Create(KIM_NUMBERING_zeroBased,
		@@ -250,8 +250,7 @@ void KimInit::determine_model_type_and_units(char * model_name,
		KIM_Model_Destroy(&pkim);
		error->all(FLERR,"KIM Model does not support the requested unit system");
		}
		}
		else if (KIM_CollectionItemType_Equal(
		} else if (KIM_CollectionItemType_Equal(
		itemType, KIM_COLLECTION_ITEM_TYPE_simulatorModel)) {
		KIM_SimulatorModel * kim_SM;
		kim_error = KIM_SimulatorModel_Create(model_name, &kim_SM);
		@@ -287,7 +286,6 @@ void KimInit::determine_model_type_and_units(char * model_name,
		}
		}


		/* ---------------------------------------------------------------------- */

		void KimInit::do_init(char model_name, char user_units, char model_units, KIM_Model &pkim)
		@@ -309,8 +307,7 @@ void KimInit::do_init(char model_name, char user_units, char *model_units, KIM

		int kimerror;
		KIM_SimulatorModel * simulatorModel;
		if (model_type == SM)
		{
		if (model_type == SM) {
		kimerror = KIM_SimulatorModel_Create(model_name,&simulatorModel);

		char const sim_name, sim_version;
		@@ -372,9 +369,7 @@ void KimInit::do_init(char model_name, char user_units, char *model_units, KIM

		// reset template map.
		KIM_SimulatorModel_OpenAndInitializeTemplateMap(simulatorModel);
		}
		else if (model_type == MO)
		{
		} else if (model_type == MO) {
		int numberOfParameters;
		KIM_Model_GetNumberOfParameters(pkim, &numberOfParameters);

		@@ -390,8 +385,7 @@ void KimInit::do_init(char model_name, char user_units, char *model_units, KIM
		mesg += " mutable parameters. \n";

		int max_len(0);
		for (int i = 0; i < numberOfParameters; ++i)
		{
		for (int i = 0; i < numberOfParameters; ++i) {
		KIM_Model_GetParameterMetadata(pkim, i, &kim_DataType,
		&extent, &str_name, &str_desc);
		max_len = MAX(max_len, strlen(str_name));
		@@ -404,8 +398,7 @@ void KimInit::do_init(char model_name, char user_units, char *model_units, KIM
		for (int i = 0; i < 8 + MAX(18, max_len); ++i)
		mesg += "-";
		mesg += "-----------------------\n";
		for (int i = 0; i < numberOfParameters; ++i)
		{
		for (int i = 0; i < numberOfParameters; ++i) {
		KIM_Model_GetParameterMetadata(pkim, i, &kim_DataType,
		&extent, &str_name, &str_desc);
		mesg += SNUM(i+1);
		@@ -424,8 +417,7 @@ void KimInit::do_init(char model_name, char user_units, char *model_units, KIM
		mesg += SNUM(extent);
		mesg += "\n";
		}
		}
		else mesg += "No mutable parameters. \n";
		} else mesg += "No mutable parameters. \n";

		KIM_Model_Destroy(&pkim);
		input->write_echo(mesg);
		@@ -475,7 +467,7 @@ void KimInit::do_variables(char user_units, char model_units)
		input->write_echo(fmt::format("# Conversion factors from {} to {}:\n",
		from,to));

		for (int i = 0; i < nunits; i++) {
		for (int i = 0; i < nunits; ++i) {
		var_str = std::string("_u_") + std::string(units[i]);
		args[0] = (char *)var_str.c_str();
		v_unit = variable->find(args[0]);

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