Thanks so much! Although still do not know what caused the problem, I have run ForceBalance successfully. Now there is another problem. I wanna optimize some van der Waals parameters, but some optimized VDWTs (the epsilon item) of some atoms are 0.0e+00. I have changed some complexes of the system w...

Hi, Recently, I tried to use Forcebalance to optimize some parameters. But I got an error information: File "/***/python/python2.7/lib/python2.7/site-packages/forcebalance/abinitio.py", line 949, in get_energy_force Ci = 1. / C FloatingPointError: divide by zero encountered in divide I have same "0....