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Add haveEwaldSurfaceContribution to SimulationWorkload
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdtypes
/
inputrec.h
diff --git
a/src/gromacs/mdtypes/inputrec.h
b/src/gromacs/mdtypes/inputrec.h
index 6cff9d6df6458df0b88706a8f322f497cc41c549..86dc181cd197ebd2ac14b7c95043d37956e84b8d 100644
(file)
--- a/
src/gromacs/mdtypes/inputrec.h
+++ b/
src/gromacs/mdtypes/inputrec.h
@@
-693,4
+693,8
@@
int ndof_com(const t_inputrec *ir);
*/
real maxReferenceTemperature(const t_inputrec &ir);
+/*! \brief Returns whether there is an Ewald surface contribution
+ */
+bool haveEwaldSurfaceContribution(const t_inputrec &ir);
+
#endif /* GMX_MDTYPES_INPUTREC_H */