--- branches/development/src/nonbonded/Electrostatic.cpp 2011/04/30 02:54:02 1554 +++ branches/development/src/nonbonded/Electrostatic.cpp 2011/06/14 20:41:44 1582 @@ -463,8 +463,8 @@ namespace OpenMD { if (!initialized_) initialize(); - ElectrostaticAtomData data1 = ElectrostaticMap[idat.atypes->first]; - ElectrostaticAtomData data2 = ElectrostaticMap[idat.atypes->second]; + ElectrostaticAtomData data1 = ElectrostaticMap[idat.atypes.first]; + ElectrostaticAtomData data2 = ElectrostaticMap[idat.atypes.second]; // some variables we'll need independent of electrostatic type: @@ -909,7 +909,7 @@ namespace OpenMD { } } - idat.pot[ELECTROSTATIC_FAMILY] += epot; + (*(idat.pot))[ELECTROSTATIC_FAMILY] += epot; *(idat.f1) += dVdr; if (i_is_Dipole || i_is_Quadrupole) @@ -933,8 +933,8 @@ namespace OpenMD { if (!initialized_) initialize(); - ElectrostaticAtomData data1 = ElectrostaticMap[idat.atypes->first]; - ElectrostaticAtomData data2 = ElectrostaticMap[idat.atypes->second]; + ElectrostaticAtomData data1 = ElectrostaticMap[idat.atypes.first]; + ElectrostaticAtomData data2 = ElectrostaticMap[idat.atypes.second]; // logicals @@ -1020,7 +1020,7 @@ namespace OpenMD { } // accumulate the forces and torques resulting from the self term - idat.pot[ELECTROSTATIC_FAMILY] += myPot; + (*(idat.pot))[ELECTROSTATIC_FAMILY] += myPot; *(idat.f1) += dVdr; if (i_is_Dipole)