Add haveEwaldSurfaceContribution to SimulationWorkload

[alexxy/gromacs.git] / src / gromacs / mdtypes / inputrec.cpp

diff --git a/src/gromacs/mdtypes/inputrec.cpp b/src/gromacs/mdtypes/inputrec.cpp
index 7445dfc4cc7f0b9074924d2e33e86362b0cdf32f..354d39f8ea08000a5a678e86597799a393651423 100644 (file)
--- a/src/gromacs/mdtypes/inputrec.cpp
+++ b/src/gromacs/mdtypes/inputrec.cpp
@@ -1549,3 +1549,9 @@ real maxReferenceTemperature(const t_inputrec &ir)
 
     return maxTemperature;
 }
+
+bool haveEwaldSurfaceContribution(const t_inputrec &ir)
+{
+    return EEL_PME_EWALD(ir.coulombtype) && (ir.ewald_geometry == eewg3DC ||
+                                             ir.epsilon_surface != 0);
+}