pyqeq

a simple implementation of Qeq with python

Qeq charge in different method and parameters

	openbabel	ReaxFF2008	ReaxFF2016
C	3.74948417	-0.19207886	-0.12950447
H	-0.93771314	0.04782188	0.03240605
H	-0.93662544	0.04827773	0.03233063
H	-0.93683606	0.04826652	0.03233617
H	-0.93830954	0.04771272	0.03243162