Remove GMX_FORCE_DO_NOT_NEED_NORMAL_FORCE legacy flag in do_force()

[alexxy/gromacs.git] / src / gromacs / mdtypes / simulation_workload.h

diff --git a/src/gromacs/mdtypes/simulation_workload.h b/src/gromacs/mdtypes/simulation_workload.h
index 281c1fc6eb7cd4f23cbdce5b8c39f75a7d5fdafd..4b7580f3ad6365ff83e85c1ce70b4b46522accb8 100644 (file)
--- a/src/gromacs/mdtypes/simulation_workload.h
+++ b/src/gromacs/mdtypes/simulation_workload.h
@@ -77,6 +77,8 @@ public:
     bool computeEnergy = false;
     //! Whether (any) forces need to be computed this step, not only energies
     bool computeForces = false;
+    //! Whether only the MTS combined force buffers are needed and not the separate normal force buffer.
+    bool useOnlyMtsCombinedForceBuffer = false;
     //! Whether nonbonded forces need to be computed this step
     bool computeNonbondedForces = false;
     //! Whether listed forces need to be computed this step