I have a question about compute group/group. As I understand, the restrict of this compute is that the interaction between groups should be pair-wised. I read the code and found that the criteria is the whether the function Single is exist for the potential i.e. pair->single_enable equal to one or not. This value is set to 1 in pair.cpp as default and for most pair-wise potentials’ source files, there are no lines about single_enable, which means the default value 1 is kept. but for some many body potentials (e.g. airebo), the single_enable is reset to 0.( am I right?)
Then there is a problem: for hybrid potentials, say system has 2 groups, potential of each is airebo, and LJ/cut between them. I need to use compute group/group to find out the interaction force. The compute group/group needs single_enable is 1 (pair_wise potential restriction), but I found for hybrid potentials, the single_enable is set to 0 (since one of the potential is airebo). Then simulation will be terminated with error message of " Pair style does not support compute group/group". So can you helps me to solve this problem to calculate interaction between groups?