diff --git a/src/apps/molresponse/testing/write_test_input.h b/src/apps/molresponse/testing/write_test_input.h index ff557f213fa..d3689dc6d39 100644 --- a/src/apps/molresponse/testing/write_test_input.h +++ b/src/apps/molresponse/testing/write_test_input.h @@ -23,9 +23,8 @@ namespace molresponse { write_test_input() : filename_("moldft.in") {} - explicit write_test_input(const CalculationParameters& param, const std::string& filename, - std::string mol_path) - : filename_(filename),molecule_path(mol_path) { + explicit write_test_input(const CalculationParameters ¶m, const std::string &filename, std::string mol_path) + : filename_(filename), molecule_path(mol_path) { std::ofstream of(filename_); write_to_test_input("dft", ¶m, of); write_molecule_to_test_input(molecule_path, of); @@ -38,27 +37,33 @@ namespace molresponse { std::string filename() const { return filename_; } - static std::ostream& write_to_test_input(const std::string& groupname, - const QCCalculationParametersBase* param, - std::ostream& of) { + static std::ostream &write_to_test_input(const std::string &groupname, const QCCalculationParametersBase *param, + std::ostream &of) { of << groupname << endl; of << param->print_to_string(true); of << "end\n"; return of; } - static std::ostream& write_molecule_to_test_input(std::string mol_path, std::ostream& of) { + static std::ostream &write_molecule_to_test_input(std::string mol_path, std::ostream &of) { - std::cout<print_to_string(true); of << "end\n"; @@ -95,7 +99,7 @@ namespace molresponse { }; -}// namespace madness +}// namespace molresponse #endif//MADNESS_WRITE_RESPONSE_INPUT_H