--- trunk/src/brains/DataStorage.hpp 2014/04/24 17:30:00 1992 +++ trunk/src/brains/DataStorage.hpp 2014/04/29 17:32:31 1993 @@ -83,7 +83,8 @@ namespace OpenMD { dslSkippedCharge = 8192, dslFlucQPosition = 16384, dslFlucQVelocity = 32768, - dslFlucQForce = 65536 + dslFlucQForce = 65536, + dslSitePotential = 131072 }; DataStorage(); @@ -140,6 +141,7 @@ namespace OpenMD { vector flucQPos; /** fluctuating charges */ vector flucQVel; /** fluctuating charge velocities */ vector flucQFrc; /** fluctuating charge forces */ + vector sitePotential; /** electrostatic site potentials */ static int getBytesPerStuntDouble(int layout);