Commit feec33e6 authored by Saurabh Belsare's avatar Saurabh Belsare
Browse files

Had inadvertantly deleted more variables than were necessary, leading to errors. Fixed that.

parent 4a68a61c
...@@ -117,7 +117,6 @@ void AmoebaMultipoleForce::setPmeGridDimensions(const std::vector<int>& gridDime ...@@ -117,7 +117,6 @@ void AmoebaMultipoleForce::setPmeGridDimensions(const std::vector<int>& gridDime
nx = gridDimension[0]; nx = gridDimension[0];
ny = gridDimension[1]; ny = gridDimension[1];
nz = gridDimension[2]; nz = gridDimension[2];
>>>>>>> upstream/master
} }
void AmoebaMultipoleForce::getPMEParametersInContext(const Context& context, double& alpha, int& nx, int& ny, int& nz) const { void AmoebaMultipoleForce::getPMEParametersInContext(const Context& context, double& alpha, int& nx, int& ny, int& nz) const {
......
...@@ -688,6 +688,9 @@ protected: ...@@ -688,6 +688,9 @@ protected:
RealOpenMM quadrupole[6]; RealOpenMM quadrupole[6];
RealVec sphericalDipole; RealVec sphericalDipole;
RealOpenMM sphericalQuadrupole[5]; RealOpenMM sphericalQuadrupole[5];
RealOpenMM thole;
RealOpenMM dampingFactor;
RealOpenMM polarity;
}; };
/** /**
...@@ -730,6 +733,9 @@ protected: ...@@ -730,6 +733,9 @@ protected:
RealOpenMM _uScale[5]; RealOpenMM _uScale[5];
std::vector<TransformedMultipole> _transformed; std::vector<TransformedMultipole> _transformed;
std::vector<RealVec> _fixedMultipoleField;
std::vector<RealVec> _fixedMultipoleFieldPolar;
std::vector<RealVec> _inducedDipole;
std::vector<RealVec> _inducedDipolePolar; std::vector<RealVec> _inducedDipolePolar;
std::vector<std::vector<RealVec> > _ptDipoleP; std::vector<std::vector<RealVec> > _ptDipoleP;
std::vector<std::vector<RealVec> > _ptDipoleD; std::vector<std::vector<RealVec> > _ptDipoleD;
......
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