Clean up the code & replace tabs with white spaces (54b47212) · Commits · 郑智淋 / lammps

src/KIM/kim_interactions.cpp

+31 −38

Original line number	Diff line number	Diff line
		@@ -137,8 +137,7 @@ void KimInteractions::do_setup(int narg, char **arg)
		std::string atom_type_sym_list;
		std::string atom_type_num_list;

		for (int i = 0; i < narg; i++)
		{
		for (int i = 0; i < narg; i++) {
		atom_type_sym_list += delimiter + arg[i];
		atom_type_num_list += delimiter + SNUM(species_to_atomic_no(arg[i]));
		delimiter = " ";
		@@ -272,8 +271,7 @@ void KimInteractions::KIM_SET_TYPE_PARAMETERS(char const *const input_line) cons

		char species1, species2, *the_rest;
		std::vector<char *> species;
		for (int i = 0; i < atom->ntypes; ++i)
		{
		for (int i = 0; i < atom->ntypes; ++i) {
		char *str;
		str = strtok(NULL," \t");
		if (str == NULL)
		@@ -309,20 +307,16 @@ void KimInteractions::KIM_SET_TYPE_PARAMETERS(char const *const input_line) cons
		for (int type_a = 0; type_a < atom->ntypes; ++type_a) {
		for (int type_b = type_a; type_b < atom->ntypes; ++type_b) {
		if (((strcmp(species[type_a],species1) == 0) &&
		(strcmp(species[type_b],species2) == 0))
		\|\|
		(strcmp(species[type_b],species2) == 0)) \|\|
		((strcmp(species[type_b],species1) == 0) &&
		(strcmp(species[type_a],species2) == 0))
		) {
		(strcmp(species[type_a],species2) == 0))) {
		char pair_command[MAXLINE];
		sprintf(pair_command,"pair_coeff %i %i %s",type_a+1,type_b+1,
		the_rest);
		sprintf(pair_command,"pair_coeff %i %i %s",type_a+1,type_b+1,the_rest);
		input->one(pair_command);
		}
		}
		}
		}
		else if (strcmp(key,"charge") == 0) {
		} else if (strcmp(key,"charge") == 0) {
		species1 = strtok(ptr," \t");
		the_rest = strtok(NULL,"\n");

		@@ -333,8 +327,7 @@ void KimInteractions::KIM_SET_TYPE_PARAMETERS(char const *const input_line) cons
		input->one(pair_command);
		}
		}
		}
		else{
		} else {
		error->one(FLERR,"Unrecognized KEY for KIM_SET_TYPE_PARAMETERS command");
		}
		}

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