How to cite

MolTwister can be cited using the following article:

Olsen, R. (2023), Comp. Phys. Commun., 291, pp. 108822. doi: 10.1016/j.cpc.2023.108822.

If using the charge balancing algorithm, which is invoked by a call to the 'calculate qbal' command, the paper where this procedure was introduced can be cited:

Olsen, R. et al. (2016), J. Phys. Chem. C, 120(51), pp. 29264–29271. doi: 10.1021/acs.jpcc.6b10043.