Nan Xu

We checked those confomations with large errors, and found that some of them may be due to unstable wavefunction solution. Using this molecule as an example  We did a...

The increment processing of the atomic polarizability in the functions "find_force_radial_small_box" and "find_force_angular_small_box" might not be appropriate, resulting in the polarizability of a single atom in the output being inconsistent...