Add simulation workload flag for dipole computation

[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 9bf230a5938222e00dff0449441eb7351a502b9d..5dfe43c333c55c3519a5469f808af0cc2c38e88f 100644 (file)
--- a/src/gromacs/mdtypes/simulation_workload.h
+++ b/src/gromacs/mdtypes/simulation_workload.h
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -142,6 +142,8 @@ public:
 class SimulationWorkload
 {
 public:
+    //! Whether total dipole needs to be computed
+    bool computeMuTot = false;
     //! If we have calculation of short range nonbondeds on CPU
     bool useCpuNonbonded = false;
     //! If we have calculation of short range nonbondeds on GPU