Commit 3d04b720 authored by Andy Simmonett's avatar Andy Simmonett
Browse files

Minor tweaks for SWIG wrapper generation.

Specified units for getOPTCoefficients() routine and switched µ for mu, to avoid unicode writing errors.
parent 6bde69d9
...@@ -303,19 +303,19 @@ public: ...@@ -303,19 +303,19 @@ public:
void setMutualInducedTargetEpsilon(double inputMutualInducedTargetEpsilon); void setMutualInducedTargetEpsilon(double inputMutualInducedTargetEpsilon);
/** /**
* Set the coefficients for the µ_0, µ_1, µ_2, µ_n terms in the pertubation * Set the coefficients for the mu_0, mu_1, mu_2, mu_n terms in the pertubation
* theory algorithm for induced dipoles * theory algorithm for induced dipoles
* *
* @param optCoefficients a vector whose mth entry specifies the coefficient for µ_m * @param optCoefficients a vector whose mth entry specifies the coefficient for mu_m
* *
*/ */
void setOPTCoefficients(const std::vector<double> &OPTFullCoefficientsIn); void setOPTCoefficients(const std::vector<double> &OPTFullCoefficientsIn);
/** /**
* Set the coefficients for the µ_0, µ_1, µ_2, µ_n terms in the pertubation * Set the coefficients for the mu_0, mu_1, mu_2, mu_n terms in the pertubation
* theory algorithm for induced dipoles * theory algorithm for induced dipoles
* *
* @param optCoefficients a vector whose mth entry specifies the coefficient for µ_m * @param optCoefficients a vector whose mth entry specifies the coefficient for mu_m
* *
*/ */
const std::vector<double>& getOPTCoefficients() const; const std::vector<double>& getOPTCoefficients() const;
......
...@@ -241,6 +241,7 @@ UNITS = { ...@@ -241,6 +241,7 @@ UNITS = {
("AmoebaMultipoleForce", "getPmeBSplineOrder") : ( None,()), ("AmoebaMultipoleForce", "getPmeBSplineOrder") : ( None,()),
("AmoebaMultipoleForce", "getMutualInducedMaxIterations") : ( None, ()), ("AmoebaMultipoleForce", "getMutualInducedMaxIterations") : ( None, ()),
("AmoebaMultipoleForce", "getMutualInducedTargetEpsilon") : ( None, ()), ("AmoebaMultipoleForce", "getMutualInducedTargetEpsilon") : ( None, ()),
("AmoebaMultipoleForce", "getOPTCoefficients") : ( None, ()),
("AmoebaMultipoleForce", "getEwaldErrorTolerance") : ( None, ()), ("AmoebaMultipoleForce", "getEwaldErrorTolerance") : ( None, ()),
("AmoebaMultipoleForce", "getPmeGridDimensions") : ( None,()), ("AmoebaMultipoleForce", "getPmeGridDimensions") : ( None,()),
......
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