Dear All users
I want to use Pavese force field(http://link.springer.com/article/10.1007/BF00202303) for
simulation of calcite crystal,
But I have a problem because I got this error :
ERROR: All pair coeffs are not set (…/pair.cpp:181)
Dear All users
I want to use Pavese force field(http://link.springer.com/article/10.1007/BF00202303) for
simulation of calcite crystal,
But I have a problem because I got this error :
ERROR: All pair coeffs are not set (…/pair.cpp:181)
There is a simple solution to your question, that can be found through a little bit of logical thinking. It is very educational to find it out for yourself. (what kind of potential function do you have between non-interacting particles?).
Axel