[EXTERNAL] Q about fix_reaxc_species.cpp

No, not without additional (and non-trivial) coding.

Ray Shan

A group of authors from CAS recently reported on the code capable of recognizing isomers, please take a look: http://dx.doi.org/10.1016/j.jmgm.2014.07.002 .

Oleg

“Shan, Tzu-Ray NMN (-EXP)” <[email protected]…3…> 5 января 2015 г. 10:08:05 написал: