Add gapsys softcore function.

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

diff --git a/src/gromacs/mdtypes/md_enums.h b/src/gromacs/mdtypes/md_enums.h
index a8ab709c5e892f6cd14cceeeb0e1e7504d64d0d8..0bfb497cc4cd9e4bb0b8de354549fe8dd41d5947 100644 (file)
--- a/src/gromacs/mdtypes/md_enums.h
+++ b/src/gromacs/mdtypes/md_enums.h
@@ -605,6 +605,21 @@ enum class DhDlDerivativeCalculation : int
 //! String for DHDL derivatives
 const char* enumValueToString(DhDlDerivativeCalculation enumValue);
 
+/*! \brief soft-core function \
+ *
+ * Distinguishes between soft-core functions.
+ */
+enum class SoftcoreType : int
+{
+    Beutler,
+    Gapsys,
+    None,
+    Count,
+    Default = Beutler
+};
+//! Strings for softcore function names
+const char* enumValueToString(SoftcoreType enumValue);
+
 /*! \brief Solvent model
  *
  * Distinguishes classical water types with 3 or 4 particles