diff --git a/unittest/force-styles/angle_style.cpp b/unittest/force-styles/angle_style.cpp index e7568651af..a3313d56e4 100644 --- a/unittest/force-styles/angle_style.cpp +++ b/unittest/force-styles/angle_style.cpp @@ -287,8 +287,8 @@ void generate_yaml_file(const char *outfile, const TestConfig &config) // equilibrium angle std::stringstream eqstr; - eqstr << lmp->force->angle->equilibrium_angle(1); - for (std::size_t i=1; i < config.angle_coeff.size(); ++i) { + eqstr << lmp->atom->nangletypes; + for (std::size_t i=0; i < lmp->atom->nangletypes; ++i) { eqstr << " " << lmp->force->angle->equilibrium_angle(i+1); } writer.emit("equilibrium", eqstr.str()); diff --git a/unittest/force-styles/bond_style.cpp b/unittest/force-styles/bond_style.cpp index 4b3cfe9a58..c159a7a25e 100644 --- a/unittest/force-styles/bond_style.cpp +++ b/unittest/force-styles/bond_style.cpp @@ -287,8 +287,8 @@ void generate_yaml_file(const char *outfile, const TestConfig &config) // equilibrium distance std::stringstream eqstr; - eqstr << lmp->force->bond->equilibrium_distance(1); - for (std::size_t i=1; i < config.bond_coeff.size(); ++i) { + eqstr << lmp->atom->nbondtypes; + for (std::size_t i=0; i < lmp->atom->nbondtypes; ++i) { eqstr << " " << lmp->force->bond->equilibrium_distance(i+1); } writer.emit("equilibrium", eqstr.str()); diff --git a/unittest/force-styles/test_config_reader.cpp b/unittest/force-styles/test_config_reader.cpp index 0bfe33b4ff..3473782a7e 100644 --- a/unittest/force-styles/test_config_reader.cpp +++ b/unittest/force-styles/test_config_reader.cpp @@ -213,7 +213,9 @@ void TestConfigReader::equilibrium(const yaml_event_t & event) { std::stringstream data((char *)event.data.scalar.value); config.equilibrium.clear(); double value; - while (1) { + std::size_t num; + data >> num; + for (std::size_t i=0; i < num; ++i) { data >> value; if (data.eof()) break; config.equilibrium.push_back(value);