Replace defines with constexpr in ishift

[alexxy/gromacs.git] / src / gromacs / mdlib / sim_util.cpp

diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp
index 9f6711386b86fdb16f1bf263aff148ba0b77a65d..60a046fec2f9d5d139020a40a6ffd115e6c48b75 100644 (file)
--- a/src/gromacs/mdlib/sim_util.cpp
+++ b/src/gromacs/mdlib/sim_util.cpp
@@ -167,8 +167,8 @@ static void calc_virial(int                              start,
     /* The short-range virial from surrounding boxes */
     const rvec* fshift          = as_rvec_array(forceWithShiftForces.shiftForces().data());
     const rvec* shiftVecPointer = as_rvec_array(fr->shift_vec.data());
-    calc_vir(SHIFTS, shiftVecPointer, fshift, vir_part, pbcType == PbcType::Screw, box);
-    inc_nrnb(nrnb, eNR_VIRIAL, SHIFTS);
+    calc_vir(gmx::c_numShiftVectors, shiftVecPointer, fshift, vir_part, pbcType == PbcType::Screw, box);
+    inc_nrnb(nrnb, eNR_VIRIAL, gmx::c_numShiftVectors);
 
     /* Calculate partial virial, for local atoms only, based on short range.
      * Total virial is computed in global_stat, called from do_md