Examples: @@ -29,8 +29,8 @@ compute molPE all bond angle dihedral improper
Define a computation that calculates the potential energy of the entire system of atoms. The specified group must be "all". See the -compute epair/atom compute -ebond/atom or commands if you want per-atom +compute epair/atom and compute +ebond/atom commands if you want per-atom energies. These per-atom values could be summed for a group of atoms via the compute sum command.
diff --git a/doc/compute_pe.txt b/doc/compute_pe.txt index e5f77a8b1f..cef0cc0e7a 100644 --- a/doc/compute_pe.txt +++ b/doc/compute_pe.txt @@ -14,7 +14,7 @@ compute ID group-ID pe keyword ... :pre ID, group-ID are documented in "compute"_compute.html command pe = style name of this compute command -zero of more keywords may be appended +zero or more keywords may be appended keyword = {pair} or {bond} or {angle} or {dihedral} or {improper} or {kspace} :ul [Examples:] @@ -26,8 +26,8 @@ compute molPE all bond angle dihedral improper :pre Define a computation that calculates the potential energy of the entire system of atoms. The specified group must be "all". See the -"compute epair/atom"_compute_epair_atom.html "compute -ebond/atom"_compute_ebond_atom.html or commands if you want per-atom +"compute epair/atom"_compute_epair_atom.html and "compute +ebond/atom"_compute_ebond_atom.html commands if you want per-atom energies. These per-atom values could be summed for a group of atoms via the "compute sum"_compute_sum.html command.