Single char fix to PT code.

The forces were not correct for different uind/uinp as a result.

Single char fix to PT code.
The forces were not correct for different uind/uinp as a result.
c12298b8 · Andy Simmonett · 34afae6a · c12298b8
Commit c12298b8 authored Dec 08, 2015 by Andy Simmonett
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plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp ...ence/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp +1 -1

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--- a/plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
+++ b/plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
@@ -1007,7 +1007,7 @@ void AmoebaReferenceMultipoleForce::convergeInduceDipolesByOPT(const vector<Mult
        for(int atom = 0; atom < _numParticles; ++atom){
            for(int component = 0; component < 6; ++component){
                fieldGradD[6*atom + component] = fieldD.inducedDipoleFieldGradient[atom][component];
-                fieldGradP[6*atom + component] = fieldD.inducedDipoleFieldGradient[atom][component];
+                fieldGradP[6*atom + component] = fieldP.inducedDipoleFieldGradient[atom][component];
            }
        }
        _ptDipoleFieldGradientD.push_back(fieldGradD);