Syntax:
compute ID group-ID sum/atom compute-ID1 compute-ID2 ...
Examples:
compute 1 all sum/atom atomKE atomEpair atomEbond
Description:
Define a computation that sums the results of two or more other computes for each atom in a group. This is useful for summing atom properties such as pairwise energy, bond energy, kinetic energy, etc. The resulting values can be accessed by any command that uses per-atom computes, e.g. the dump custom command or fix ave/spatial command or fix ave/atom command.
The result of this compute depends on the results generated by the other computes that it invokes. E.g. if the other computes each generate a scalar value per atom, so will this compute. If the other computes each generate a vector of values per atom, so will this compute. In the latter case, all the other computes must generate vectors of the same size.
Restrictions: none
Related commands: none
Default: none