Maybe a bug?

[pw]

I find that line 222 in functions.cpp,the formula of g0 is inconsistent with the formula （14）that in your paper.

[Dario Lodi Rizzini]

Well, I think you refer to line 221:

double g0 = sqrt(0.5 * M_PI) * (1.0 - std::erf(ratio / sqrt(2.0)));

whereas from (14) in the paper it should be

double g0 = sqrt(0.5 * M_PI) * (1.0 + std::erf(ratio / sqrt(2.0)));

I have to check my notes before properly answering. I thank you for your check.