Replace defines with constexpr in ishift

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_disre.cpp

diff --git a/src/gromacs/gmxana/gmx_disre.cpp b/src/gromacs/gmxana/gmx_disre.cpp
index 54865bc6129c00c604296a9ad916ce85c2e46e88..3490334d18206266fac92800c9be2367da3554e1 100644 (file)
--- a/src/gromacs/gmxana/gmx_disre.cpp
+++ b/src/gromacs/gmxana/gmx_disre.cpp
@@ -236,7 +236,7 @@ static void check_viol(FILE*                          log,
         dr[clust_id].aver_3[ndr] += drt;
         dr[clust_id].aver_6[ndr] += disresdata->Rt_6[label];
 
-        snew(fshift, SHIFTS);
+        snew(fshift, gmx::c_numShiftVectors);
         ta_disres(n, &forceatoms[i], forceparams.data(), x, f, fshift, pbc, lam, &dvdl, {}, nullptr, disresdata, nullptr, nullptr);
         sfree(fshift);
         viol = disresdata->sumviol;