Update the KIM error messages (c844de03) · Commits · 郑智淋 / lammps

src/KIM/kim_param.cpp

+24 −26

Original line number	Diff line number	Diff line
		@@ -154,7 +154,7 @@ void KimParam::command(int narg, char **arg)

		if ((kim_param_get_set != "get") && (kim_param_get_set != "set")) {
		std::string msg("Incorrect arguments in kim_param command.\n");
		msg += "'kim_param get/set' is mandatory.";
		msg += "'kim_param get/set' is mandatory";
		error->all(FLERR, msg);
		}

		@@ -201,16 +201,16 @@ void KimParam::command(int narg, char **arg)

		pkim = pairKIM->get_KIM_Model();
		if (!pkim)
		error->all(FLERR, "Unable to get the KIM Portable Model.");
		error->all(FLERR, "Unable to get the KIM Portable Model");

		if (kim_param_get_set == "set") {
		atom_type_list = pairKIM->get_atom_type_list();
		if (atom_type_list.empty())
		error->all(FLERR, "The requested atom type list is empty.");
		error->all(FLERR, "The requested atom type list is empty");
		}
		} else
		error->all(FLERR, "Pair style is defined, but there is "
		"no match for kim style in lammps.");
		"no match for kim style in lammps");
		} else {
		if (kim_param_get_set == "set") {
		std::string msg("Wrong 'kim_param set' command.\n");
		@@ -241,7 +241,7 @@ void KimParam::command(int narg, char **arg)
		&units_accepted,
		&pkim);
		if (kim_error)
		error->all(FLERR, "Unable to create KIM Portable Model.");
		error->all(FLERR, "Unable to create KIM Portable Model");
		}
		}

		@@ -277,7 +277,7 @@ void KimParam::command(int narg, char **arg)
		&kim_DataType, &extent,
		&str_name, &str_desc);
		if (kim_error)
		error->all(FLERR, "KIM GetParameterMetadata returned error.");
		error->all(FLERR, "KIM GetParameterMetadata returned error");

		if (strcmp(paramname, str_name) == 0)
		break;
		@@ -287,7 +287,7 @@ void KimParam::command(int narg, char **arg)
		std::string msg("Wrong argument in kim_param get command.\n");
		msg += "This Model does not have the requested '";
		msg += paramname;
		msg += "' parameter.";
		msg += "' parameter";
		error->all(FLERR, msg);
		}

		@@ -304,7 +304,7 @@ void KimParam::command(int narg, char **arg)
		std::string msg("Illegal index_range.\n");
		msg += "Expected integer parameter(s) instead of '";
		msg += argtostr;
		msg += "' in index_range.";
		msg += "' in index_range";
		error->all(FLERR, msg);
		}

		@@ -322,7 +322,7 @@ void KimParam::command(int narg, char **arg)
		msg += paramname;
		msg += "' parameter with the extent of '";
		msg += std::to_string(extent);
		msg += "'.";
		msg += "'";
		error->all(FLERR, msg);
		}
		} else {
		@@ -334,7 +334,7 @@ void KimParam::command(int narg, char **arg)
		msg += paramname;
		msg += "' parameter with the extent of '";
		msg += std::to_string(extent);
		msg += "'.";
		msg += "'";
		error->all(FLERR, msg);
		}
		nubound = nlbound;
		@@ -342,7 +342,7 @@ void KimParam::command(int narg, char **arg)
		} else {
		std::string msg("Wrong number of arguments in ");
		msg += "'kim_param get' command.\n";
		msg += "Index range after parameter name is mandatory.";
		msg += "Index range after parameter name is mandatory";
		error->all(FLERR, msg);
		}

		@@ -355,7 +355,7 @@ void KimParam::command(int narg, char **arg)
		} else {
		std::string msg("Wrong number of arguments in ");
		msg += "'kim_param get' command.\n";
		msg += "The LAMMPS variable name is mandatory.";
		msg += "The LAMMPS variable name is mandatory";
		error->all(FLERR, msg);
		}

		@@ -387,22 +387,20 @@ void KimParam::command(int narg, char **arg)
		}
		} else {
		std::string msg("Wrong number of arguments in ");
		msg += "'kim_param get' command.\n";
		msg += "The LAMMPS '";
		msg += "'kim_param get' command.\nThe LAMMPS '";
		msg += std::to_string(nvars);
		msg += "' variable names or '";
		msg += varname;
		msg += " split' is mandatory.";
		msg += " split' is mandatory";
		error->all(FLERR, msg);
		}
		} else {
		std::string msg("Wrong number of arguments in ");
		msg += "'kim_param get' command.\n";
		msg += "The LAMMPS '";
		msg += "'kim_param get' command.\nThe LAMMPS '";
		msg += std::to_string(nvars);
		msg += "' variable names or '";
		msg += varname;
		msg += " split/list' is mandatory.";
		msg += " split/list' is mandatory";
		error->all(FLERR, msg);
		}
		} else {
		@@ -435,14 +433,14 @@ void KimParam::command(int narg, char **arg)
		kim_error = KIM_Model_GetParameterDouble(pkim, param_index,
		nlbound - 1, &V);
		if (kim_error)
		error->all(FLERR, "KIM GetParameterDouble returned error.");
		error->all(FLERR, "KIM GetParameterDouble returned error");
		str << V;
		}
		for (int j = 1; j < nvars; ++j) {
		kim_error = KIM_Model_GetParameterDouble(pkim, param_index,
		nlbound - 1 + j, &V);
		if (kim_error)
		error->all(FLERR, "KIM GetParameterDouble returned error.");
		error->all(FLERR, "KIM GetParameterDouble returned error");
		str << " " << V;
		}
		varcmd[0] = varsname[0];
		@@ -456,7 +454,7 @@ void KimParam::command(int narg, char **arg)
		kim_error = KIM_Model_GetParameterDouble(pkim, param_index,
		nlbound - 1 + j, &V);
		if (kim_error)
		error->all(FLERR, "KIM GetParameterDouble returned error.");
		error->all(FLERR, "KIM GetParameterDouble returned error");
		std::stringstream str;
		str << V;
		varcmd[2] = const_cast<char *>(str.str().c_str());
		@@ -472,14 +470,14 @@ void KimParam::command(int narg, char **arg)
		kim_error = KIM_Model_GetParameterInteger(pkim, param_index,
		nlbound - 1, &V);
		if (kim_error)
		error->all(FLERR, "KIM GetParameterInteger returned error.");
		error->all(FLERR, "KIM GetParameterInteger returned error");
		str << V;
		}
		for (int j = 1; j < nvars; ++j) {
		kim_error = KIM_Model_GetParameterInteger(pkim, param_index,
		nlbound - 1 + j, &V);
		if (kim_error)
		error->all(FLERR, "KIM GetParameterInteger returned error.");
		error->all(FLERR, "KIM GetParameterInteger returned error");
		str << " " << V;
		}
		varcmd[0] = varsname[0];
		@@ -493,7 +491,7 @@ void KimParam::command(int narg, char **arg)
		kim_error = KIM_Model_GetParameterInteger(pkim, param_index,
		nlbound - 1 + j, &V);
		if (kim_error)
		error->all(FLERR, "KIM GetParameterInteger returned error.");
		error->all(FLERR, "KIM GetParameterInteger returned error");
		std::stringstream str;
		str << V;
		varcmd[2] = const_cast<char *>(str.str().c_str());
		@@ -502,7 +500,7 @@ void KimParam::command(int narg, char **arg)
		}
		}
		} else
		error->all(FLERR, "Wrong parameter type.");
		error->all(FLERR, "Wrong parameter type");

		delete[] varcmd;
		delete[] varsname;
		@@ -518,7 +516,7 @@ void KimParam::command(int narg, char **arg)
		input->one(set_cmd);
		}
		} else
		error->all(FLERR, "This model has No mutable parameters.");
		error->all(FLERR, "This model has No mutable parameters");

		if (!isPairStyleAssigned)
		KIM_Model_Destroy(&pkim);

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