Unverified Commit c7eb9a86 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

there really isn't a problem with calling this compute multiple times

parent fb8d3142

src/compute_coord_atom.cpp

+0 −6
Original line number Diff line number Diff line
@@ -158,12 +158,6 @@ void ComputeCoordAtom::init() 
  neighbor->requests[irequest]->half = 0;

  neighbor->requests[irequest]->full = 1;

  neighbor->requests[irequest]->occasional = 1;



  int count = 0;

  for (int i = 0; i < modify->ncompute; i++)

    if (strcmp(modify->compute[i]->style,"coord/atom") == 0) count++;

  if (count > 1 && comm->me == 0)

    error->warning(FLERR,"More than one compute coord/atom");

}



/* ---------------------------------------------------------------------- */

src/compute_coord_atom.h

+0 −4
Original line number Diff line number Diff line
@@ -97,8 +97,4 @@ E: Compute coord/atom cutoff is longer than pairwise cutoff 
Cannot compute coordination at distances longer than the pair cutoff,

since those atoms are not in the neighbor list.



W: More than one compute coord/atom



It is not efficient to use compute coord/atom more than once.



*/

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