This commit is contained in:
Axel Kohlmeyer
2024-01-12 18:42:16 -05:00
parent 6329d491dc
commit 7a7492b757

View File

@ -47,7 +47,7 @@ void EXPECT_STRESS(const std::string &name, double *stress, const stress_t &expe
EXPECT_FP_LE_WITH_EPS(stress[3], expected_stress.xy, epsilon);
EXPECT_FP_LE_WITH_EPS(stress[4], expected_stress.xz, epsilon);
EXPECT_FP_LE_WITH_EPS(stress[5], expected_stress.yz, epsilon);
if (print_stats) std::cerr << name << " stats" << stats << std::endl;
if (print_stats) std::cerr << name << " stats: " << stats << std::endl;
}
void EXPECT_FORCES(const std::string &name, Atom *atom, const std::vector<coord_t> &f_ref,
@ -64,7 +64,7 @@ void EXPECT_FORCES(const std::string &name, Atom *atom, const std::vector<coord_
EXPECT_FP_LE_WITH_EPS(f[i][1], f_ref[tag[i]].y, epsilon);
EXPECT_FP_LE_WITH_EPS(f[i][2], f_ref[tag[i]].z, epsilon);
}
if (print_stats) std::cerr << name << " stats" << stats << std::endl;
if (print_stats) std::cerr << name << " stats: " << stats << std::endl;
}
void EXPECT_POSITIONS(const std::string &name, Atom *atom, const std::vector<coord_t> &x_ref,
@ -81,7 +81,7 @@ void EXPECT_POSITIONS(const std::string &name, Atom *atom, const std::vector<coo
EXPECT_FP_LE_WITH_EPS(x[i][1], x_ref[tag[i]].y, epsilon);
EXPECT_FP_LE_WITH_EPS(x[i][2], x_ref[tag[i]].z, epsilon);
}
if (print_stats) std::cerr << name << " stats" << stats << std::endl;
if (print_stats) std::cerr << name << " stats: " << stats << std::endl;
}
void EXPECT_VELOCITIES(const std::string &name, Atom *atom, const std::vector<coord_t> &v_ref,
@ -98,7 +98,7 @@ void EXPECT_VELOCITIES(const std::string &name, Atom *atom, const std::vector<co
EXPECT_FP_LE_WITH_EPS(v[i][1], v_ref[tag[i]].y, epsilon);
EXPECT_FP_LE_WITH_EPS(v[i][2], v_ref[tag[i]].z, epsilon);
}
if (print_stats) std::cerr << name << " stats" << stats << std::endl;
if (print_stats) std::cerr << name << " stats: " << stats << std::endl;
}
// common read_yaml_file function