Question about spline5 switch

[theAfish]

Hi, I saw that the switching function in the DPA-1 and DeepMD-kit v2 paper shows a 1/r term in the formula:

Meanwhile, I cannot find this term in the code (utils/tabulated.py or ):

I'd like to know the reason for 1/r's existence here and where I can find it in the code.

[omidshy]

The 1/r_ji term should give a larger weight to the closer neighbors.
In the _spline5_switch function the 1/r_ji is factored out, perhaps it is applied when the function is called.

[wanghan-iapcm]

definition here

deepmd-kit/source/lib/include/switcher.h

Line 61 in 53a1078

inline void spline5_switch(FPTYPE& vv,

the 1/r is mulplied afterwards.

[theAfish]

Thank you very much!