Add hasPerturbedChargeIn14Interaction to atomInfo bits

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

diff --git a/src/gromacs/mdtypes/atominfo.h b/src/gromacs/mdtypes/atominfo.h
index 8697dc2501856120026ad1f6fdd034d0e74be4e9..104b1f072e7f2386f1e5939f0673bdb0b30c764c 100644 (file)
--- a/src/gromacs/mdtypes/atominfo.h
+++ b/src/gromacs/mdtypes/atominfo.h
@@ -59,13 +59,14 @@ namespace gmx
  * here, reserving bits 0-7 for the energy-group ID.
  */
 //! \{
-static constexpr int64_t sc_atomInfo_FreeEnergyPerturbation = 1 << 15;
-static constexpr int64_t sc_atomInfo_Exclusion              = 1 << 17;
-static constexpr int64_t sc_atomInfo_Constraint             = 1 << 20;
-static constexpr int64_t sc_atomInfo_Settle                 = 1 << 21;
-static constexpr int64_t sc_atomInfo_BondCommunication      = 1 << 22;
-static constexpr int64_t sc_atomInfo_HasVdw                 = 1 << 23;
-static constexpr int64_t sc_atomInfo_HasCharge              = 1 << 24;
+static constexpr int64_t sc_atomInfo_FreeEnergyPerturbation            = 1 << 15;
+static constexpr int64_t sc_atomInfo_HasPerturbedChargeIn14Interaction = 1 << 16;
+static constexpr int64_t sc_atomInfo_Exclusion                         = 1 << 17;
+static constexpr int64_t sc_atomInfo_Constraint                        = 1 << 20;
+static constexpr int64_t sc_atomInfo_Settle                            = 1 << 21;
+static constexpr int64_t sc_atomInfo_BondCommunication                 = 1 << 22;
+static constexpr int64_t sc_atomInfo_HasVdw                            = 1 << 23;
+static constexpr int64_t sc_atomInfo_HasCharge                         = 1 << 24;
 //! \}
 //! The first 8 bits are reserved for energy-group ID
 static constexpr int64_t sc_atomInfo_EnergyGroupIdMask = 0b11111111;