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Unverified Commit 8793e7e5 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
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Decreased default epsilon for AmoebaMultipoleForce (#4098)

parent 13ff4482
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plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
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...@@ -41,7 +41,7 @@ using std::string; ...@@ -41,7 +41,7 @@ using std::string;
using std::vector; using std::vector;
AmoebaMultipoleForce::AmoebaMultipoleForce() : nonbondedMethod(NoCutoff), polarizationType(Mutual), pmeBSplineOrder(5), cutoffDistance(1.0), ewaldErrorTol(1e-4), mutualInducedMaxIterations(60), AmoebaMultipoleForce::AmoebaMultipoleForce() : nonbondedMethod(NoCutoff), polarizationType(Mutual), pmeBSplineOrder(5), cutoffDistance(1.0), ewaldErrorTol(1e-4), mutualInducedMaxIterations(60),
mutualInducedTargetEpsilon(1.0e-02), scalingDistanceCutoff(100.0), electricConstant(ONE_4PI_EPS0), alpha(0.0), nx(0), ny(0), nz(0) { mutualInducedTargetEpsilon(1e-5), scalingDistanceCutoff(100.0), electricConstant(ONE_4PI_EPS0), alpha(0.0), nx(0), ny(0), nz(0) {
extrapolationCoefficients.push_back(-0.154); extrapolationCoefficients.push_back(-0.154);
extrapolationCoefficients.push_back(0.017); extrapolationCoefficients.push_back(0.017);
extrapolationCoefficients.push_back(0.658); extrapolationCoefficients.push_back(0.658);
......
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