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QMCPACK
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QMCPACK
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This is the complete list of members for PolynomialFunctor3D, including all inherited members.
| C | PolynomialFunctor3D | |
| checkInVariablesExclusive(opt_variables_type &active) override | PolynomialFunctor3D | inlinevirtual |
| qmcplusplus::OptimizableFunctorBase::checkInVariablesExclusive(opt_variables_type &active)=0 | OptimizableFunctorBase | |
| checkOutVariables(const opt_variables_type &active) override | PolynomialFunctor3D | inlinevirtual |
| ConstraintMatrix | PolynomialFunctor3D | |
| cutoff_radius | OptimizableFunctorBase | |
| d_gradsFD | PolynomialFunctor3D | |
| d_hessFD | PolynomialFunctor3D | |
| d_valsFD | PolynomialFunctor3D | |
| df(real_type r) override | PolynomialFunctor3D | inline |
| qmcplusplus::OptimizableFunctorBase::df(real_type r)=0 | OptimizableFunctorBase | pure virtual |
| dgrad_Vec | PolynomialFunctor3D | |
| dhess_Vec | PolynomialFunctor3D | |
| dval_Vec | PolynomialFunctor3D | |
| eSpecies1 | PolynomialFunctor3D | |
| eSpecies2 | PolynomialFunctor3D | |
| evaluate(real_type r_12, real_type r_1I, real_type r_2I) const | PolynomialFunctor3D | inline |
| evaluate(real_type r_12, real_type r_1I, real_type r_2I, TinyVector< real_type, 3 > &grad, Tensor< real_type, 3 > &hess) const | PolynomialFunctor3D | inline |
| evaluate(const real_type r_12, const real_type r_1I, const real_type r_2I, TinyVector< real_type, 3 > &grad, Tensor< real_type, 3 > &hess, TinyVector< Tensor< real_type, 3 >, 3 > &d3) | PolynomialFunctor3D | inline |
| evaluate(const real_type r, const real_type rinv) | PolynomialFunctor3D | inline |
| evaluateDerivatives(const real_type r_12, const real_type r_1I, const real_type r_2I, std::vector< real_type > &d_vals) | PolynomialFunctor3D | inline |
| evaluateDerivatives(const real_type r_12, const real_type r_1I, const real_type r_2I, std::vector< real_type > &d_vals, std::vector< TinyVector< real_type, 3 >> &d_grads, std::vector< Tensor< real_type, 3 >> &d_hess) | PolynomialFunctor3D | inline |
| qmcplusplus::OptimizableFunctorBase::evaluateDerivatives(real_type r, std::vector< qmcplusplus::TinyVector< real_type, 3 >> &derivs) | OptimizableFunctorBase | inlinevirtual |
| qmcplusplus::OptimizableFunctorBase::evaluateDerivatives(real_type r, std::vector< real_type > &derivs) | OptimizableFunctorBase | inlinevirtual |
| evaluateDerivativesFD(const real_type r_12, const real_type r_1I, const real_type r_2I, std::vector< double > &d_vals, std::vector< TinyVector< real_type, 3 >> &d_grads, std::vector< Tensor< real_type, 3 >> &d_hess) | PolynomialFunctor3D | inline |
| evaluateV(int Nptcl, const real_type *restrict r_12_array, const real_type *restrict r_1I_array, const real_type *restrict r_2I_array) const | PolynomialFunctor3D | inline |
| evaluateVGL(int Nptcl, const real_type *restrict r_12_array, const real_type *restrict r_1I_array, const real_type *restrict r_2I_array, real_type *restrict val_array, real_type *restrict grad0_array, real_type *restrict grad1_array, real_type *restrict grad2_array, real_type *restrict hess00_array, real_type *restrict hess11_array, real_type *restrict hess22_array, real_type *restrict hess01_array, real_type *restrict hess02_array) const | PolynomialFunctor3D | inline |
| f(real_type r) override | PolynomialFunctor3D | inline |
| qmcplusplus::OptimizableFunctorBase::f(real_type r)=0 | OptimizableFunctorBase | pure virtual |
| gamma | PolynomialFunctor3D | |
| GammaPerm | PolynomialFunctor3D | |
| GammaVec | PolynomialFunctor3D | |
| getIndex(const opt_variables_type &active) | OptimizableFunctorBase | inline |
| getName() const | OptimizableObject | inline |
| getNumParameters() | PolynomialFunctor3D | inline |
| IndepVar | PolynomialFunctor3D | |
| index | PolynomialFunctor3D | |
| isOptimized() const | OptimizableObject | inline |
| iSpecies | PolynomialFunctor3D | |
| makeClone() const override | PolynomialFunctor3D | inlinevirtual |
| myVars | OptimizableFunctorBase | |
| N_ee | PolynomialFunctor3D | |
| N_eI | PolynomialFunctor3D | |
| notOpt | PolynomialFunctor3D | |
| NumConstraints | PolynomialFunctor3D | |
| NumGamma | PolynomialFunctor3D | |
| opt_variables_type typedef | OptimizableFunctorBase | |
| OptimizableFunctorBase(const std::string &name="") | OptimizableFunctorBase | inline |
| OptimizableObject(const std::string &name) | OptimizableObject | inline |
| ParameterNames | PolynomialFunctor3D | |
| Parameters | PolynomialFunctor3D | |
| PolynomialFunctor3D(const std::string &my_name, real_type ee_cusp=0.0, real_type eI_cusp=0.0) | PolynomialFunctor3D | inline |
| print(std::ostream &os) | PolynomialFunctor3D | inline |
| put(xmlNodePtr cur) override | PolynomialFunctor3D | inlinevirtual |
| readVariationalParameters(hdf_archive &hin) | OptimizableObject | inlinevirtual |
| real_type typedef | OptimizableFunctorBase | |
| reportStatus(std::ostream &os) | OptimizableObject | inlinevirtual |
| reset() override | PolynomialFunctor3D | inlinevirtual |
| reset_gamma() | PolynomialFunctor3D | inline |
| ResetCount | PolynomialFunctor3D | |
| resetParametersExclusive(const opt_variables_type &active) override | PolynomialFunctor3D | inlinevirtual |
| qmcplusplus::OptimizableFunctorBase::resetParametersExclusive(const opt_variables_type &active)=0 | OptimizableFunctorBase | |
| resize(int neI, int nee) | PolynomialFunctor3D | inline |
| scale | PolynomialFunctor3D | |
| setCusp(real_type cusp) | OptimizableFunctorBase | inlinevirtual |
| setDensity(real_type n) | OptimizableFunctorBase | inlinevirtual |
| setGridManager(bool willmanage) | OptimizableFunctorBase | inlinevirtual |
| setOptimization(bool state) | OptimizableObject | inline |
| setPeriodic(bool periodic) | OptimizableFunctorBase | inlinevirtual |
| value_type typedef | PolynomialFunctor3D | |
| writeVariationalParameters(hdf_archive &hout) | OptimizableObject | inlinevirtual |
| ~OptimizableFunctorBase()=default | OptimizableFunctorBase | virtual |
1.8.14