Move computeSlowForces into stepWork

[alexxy/gromacs.git] / src / gromacs / mdrun / shellfc.cpp

diff --git a/src/gromacs/mdrun/shellfc.cpp b/src/gromacs/mdrun/shellfc.cpp
index d08e7f86604549cb302847c9ce85516076c7d667..a2c8b86f0863def4d3b6f4cf685e00ad4b7c6a4b 100644 (file)
--- a/src/gromacs/mdrun/shellfc.cpp
+++ b/src/gromacs/mdrun/shellfc.cpp
@@ -1020,7 +1020,7 @@ void relax_shell_flexcon(FILE*                         fplog,
         pr_rvecs(debug, 0, "x b4 do_force", as_rvec_array(x.data()), homenr);
     }
     int                   shellfc_flags = force_flags | (bVerbose ? GMX_FORCE_ENERGY : 0);
-    gmx::ForceBuffersView forceViewInit = gmx::ForceBuffersView(forceWithPadding[Min]);
+    gmx::ForceBuffersView forceViewInit = gmx::ForceBuffersView(forceWithPadding[Min], {}, false);
     do_force(fplog, cr, ms, inputrec, nullptr, enforcedRotation, imdSession, pull_work, mdstep,
              nrnb, wcycle, top, box, xPadded, hist, &forceViewInit, force_vir, md, enerd, lambda,
              fr, runScheduleWork, vsite, mu_tot, t, nullptr,
@@ -1107,7 +1107,7 @@ void relax_shell_flexcon(FILE*                         fplog,
             pr_rvecs(debug, 0, "RELAX: pos[Try]  ", as_rvec_array(pos[Try].data()), homenr);
         }
         /* Try the new positions */
-        gmx::ForceBuffersView forceViewTry = gmx::ForceBuffersView(forceWithPadding[Try]);
+        gmx::ForceBuffersView forceViewTry = gmx::ForceBuffersView(forceWithPadding[Try], {}, false);
         do_force(fplog, cr, ms, inputrec, nullptr, enforcedRotation, imdSession, pull_work, 1, nrnb, wcycle,
                  top, box, posWithPadding[Try], hist, &forceViewTry, force_vir, md, enerd, lambda, fr,
                  runScheduleWork, vsite, mu_tot, t, nullptr, shellfc_flags, ddBalanceRegionHandler);