Net Charge not zero

[quantumcoyote]

The framework net charge is not zero when the charges are read from a CIF file. (e.g. -2.55e-13) I verified that the atomic charges sum to zero. Same problem when I put the charges in the force field file.

It only happens when Ewald is used for electrostatics.

I installed RASPA using pip. I will try to compile it from scratch to see if I still have the same problem.