You can’t use compute group/group with pair_style Cou/Wolf. The single() function doesn’t work correctly with this pair_style, and it is disabled. (There are non-pairwise terms that are not accounted for in the single() function.)
Stan
All the coul potential have this problem or just coul/wolf???
You can’t use compute group/group with coul/wolf and coul/dsf. You can use compute group/group with cou/long if you enable the kspace option in compute group/group and include a kspace style. You can also use coul/cut with compute group/group, though it isn’t recommended if you want the long-range energy.
Stan
Thanks,
coul/long works fine
best regards,