With multiple pull constraints, the convergence check would use
the reference distance of the last constraint for all constraints.
Change-Id: Ic15d5dd618acc6d3aa5ca0f1e009c6f8096ed0d1
{
pgrp = &pull->grp[g];
+ if (pull->eGeom == epullgPOS)
+ {
+ for (m = 0; m < DIM; m++)
+ {
+ ref[m] = pgrp->init[m] + pgrp->rate*t*pgrp->vec[m];
+ }
+ }
+ else
+ {
+ ref[0] = pgrp->init[0] + pgrp->rate*t;
+ /* Keep the compiler happy */
+ ref[1] = 0;
+ ref[2] = 0;
+ }
+
get_pullgrps_dr(pull, pbc, g, t, rinew[g], rjnew[PULL_CYL(pull) ? g : 0],
-1, unc_ij);