[Feature Request] Validity check of the the short-range table and smooth it

[wanghan-iapcm]

Summary

Providing use_srtab will switch on the interpolation of a tabulated short-range interation with DP. This issue asks for the validity check of the table and smooth it.

Detailed Description

1. The table provides a pairwise iteration saying u(r). The upper range of r in the table file should be larger than rcut, because the u(r) of the neighbors within rcut will be calculated. This is not checked by the current code.
2. The short-range interaction should be smooth at the cut-off distance, and this may not be met by the user-provided tabulated potential. Therefore, DP should provide an option to smoothy the tabulated potential between rcut_smth and rcut.

Further Information, Files, and Links

No response