Update the KIM error messages (c215278a) · Commits · 郑智淋 / lammps

src/KIM/pair_kim.cpp

+17 −17

Original line number	Diff line number	Diff line
		@@ -293,8 +293,8 @@ void PairKIM::settings(int narg, char **arg)
		if (narg != 1) {
		if ((narg > 0) && ((0 == strcmp("KIMvirial", arg[0])) \|\|
		(0 == strcmp("LAMMPSvirial", arg[0])))) {
		error->all(FLERR,"'KIMvirial' or 'LAMMPSvirial' not supported with "
		"kim-api.");
		error->all(FLERR,"'KIMvirial' or 'LAMMPSvirial' not "
		"supported with kim-api");
		} else error->all(FLERR,"Illegal pair_style command");
		}
		// arg[0] is the KIM Model name
		@@ -424,7 +424,7 @@ void PairKIM::coeff(int narg, char **arg)

		if (!numberOfParameters) {
		std::string msg("Incorrect args for pair coefficients \n");
		msg += "This model has No mutable parameters.";
		msg += "This model has No mutable parameters";
		error->all(FLERR, msg);
		}

		@@ -460,7 +460,7 @@ void PairKIM::coeff(int narg, char **arg)
		std::string msg("Wrong argument for pair coefficients.\n");
		msg += "This Model does not have the requested '";
		msg += paramname;
		msg += "' parameter.";
		msg += "' parameter";
		error->all(FLERR, msg);
		}

		@@ -476,7 +476,7 @@ void PairKIM::coeff(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);
		}

		@@ -488,12 +488,12 @@ void PairKIM::coeff(int narg, char **arg)
		if (nubound < 1 \|\| nubound > extent \|\|
		nlbound < 1 \|\| nlbound > nubound) {
		std::string msg("Illegal index_range '");
		msg += std::to_string(nlbound) + "-" + std::to_string(nubound);
		msg += "' for '";
		msg += std::to_string(nlbound) + "-" ;
		msg += std::to_string(nubound) + "' for '";
		msg += paramname;
		msg += "' parameter with extent of '";
		msg += "' parameter with the extent of '";
		msg += std::to_string(extent);
		msg += "' .";
		msg += "'";
		error->all(FLERR, msg);
		}
		} else {
		@@ -503,9 +503,9 @@ void PairKIM::coeff(int narg, char **arg)
		std::string msg("Illegal index '");
		msg += std::to_string(nlbound) + "' for '";
		msg += paramname;
		msg += "' parameter with extent of '";
		msg += "' parameter with the extent of '";
		msg += std::to_string(extent);
		msg += "' .";
		msg += "'";
		error->all(FLERR, msg);
		}
		nubound = nlbound;
		@@ -513,7 +513,7 @@ void PairKIM::coeff(int narg, char **arg)
		} else {
		std::string msg =
		"Wrong number of arguments for pair coefficients.\n";
		msg += "Index range after parameter name is mandatory.";
		msg += "Index range after parameter name is mandatory";
		error->all(FLERR, msg);
		}

		@@ -525,7 +525,7 @@ void PairKIM::coeff(int narg, char **arg)
		kimerror = KIM_Model_SetParameterDouble(pkim, param_index,
		nlbound - 1 + j, V);
		if (kimerror)
		error->all(FLERR, "KIM SetParameterDouble returned error.");
		error->all(FLERR, "KIM SetParameterDouble returned error");
		}
		} else if (KIM_DataType_Equal(kim_DataType, KIM_DATA_TYPE_Integer)) {
		for (int j = 0; j < nubound - nlbound + 1; ++j) {
		@@ -533,7 +533,7 @@ void PairKIM::coeff(int narg, char **arg)
		kimerror = KIM_Model_SetParameterInteger(pkim, param_index,
		nlbound - 1 + j, V);
		if (kimerror)
		error->all(FLERR, "KIM SetParameterInteger returned error.");
		error->all(FLERR, "KIM SetParameterInteger returned error");
		}
		} else
		error->all(FLERR, "Wrong parameter type to update");
		@@ -846,7 +846,7 @@ void PairKIM::kim_init()
		kimerror = check_for_routine_compatibility();
		if (kimerror)
		error->all(FLERR,
		"KIM Model requires unknown Routines. Unable to proceed.");
		"KIM Model requires unknown Routines. Unable to proceed");

		kimerror = KIM_Model_ComputeArgumentsCreate(pkim, &pargs);
		if (kimerror) {

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