kim_query check for explicit 'model=' key in arguments (give error if present). (5b4f77b9) · Commits · 郑智淋 / lammps

src/KIM/kim_query.cpp

+9 −2

Original line number	Diff line number	Diff line
		@@ -113,6 +113,13 @@ void KimQuery::command(int narg, char **arg)
		narg--;
		}
		function = arg[1];
		for (int i = 2; i < narg; ++i)
		{
		if (0 == strncmp("model=",arg[i], 6)) {
		error->all(FLERR,"Illegal 'model' key in kim_query command");
		}
		}


		#if defined(LMP_KIM_CURL)

		@@ -258,9 +265,9 @@ char do_query(char qfunction, char * model_name, int narg, char **arg,

		if (value[0] == '[') {
		int len = strlen(value)-1;
		if (value[len-1] == ']') {
		if (value[len] == ']') {
		retval = new char[len];
		value[len-1] = '\0';
		value[len] = '\0';
		strcpy(retval,value+1);
		} else {
		retval = new char[len+2];