Index _ | A | B | C | D | E | F | G | H | I | L | M | N | O | P | R | S | T | U | V | W | X _ __call__() (thermoextrap.core.typing.SupportsIdentityTransform method) (thermoextrap.gpr_active.active_utils.MetricBase method) (thermoextrap.gpr_active.active_utils.StopCriteria method) (thermoextrap.gpr_active.active_utils.UpdateFuncBase method) (thermoextrap.gpr_active.gp_models.ConstantMeanWithDerivs method) (thermoextrap.gpr_active.gp_models.LinearWithDerivs method) (thermoextrap.gpr_active.gp_models.SympyMeanFunc method) (thermoextrap.models.ExtrapModel method) A AbstractData (class in thermoextrap.data) active_learning() (in module thermoextrap.gpr_active.active_utils) allow_resample (thermoextrap.lnpi.lnPiDataCallback attribute) alpha_name (thermoextrap.models.ExtrapModel attribute) append() (thermoextrap.models.StateCollection method) ard (thermoextrap.gpr_active.gp_models.DerivativeKernel property) args (thermoextrap.models.Derivatives attribute) asdict() (thermoextrap.core._attrs_utils.MyAttrsMixin method) (thermoextrap.data.AbstractData method) (thermoextrap.data.DataCallback method) (thermoextrap.data.DataCallbackABC method) (thermoextrap.data.DataCentralMoments method) (thermoextrap.data.DataCentralMomentsBase method) (thermoextrap.data.DataCentralMomentsVals method) assign() (thermoextrap.core._attrs_utils.MyAttrsMixin method) (thermoextrap.data.AbstractData method) (thermoextrap.data.DataCallback method) (thermoextrap.data.DataCallbackABC method) (thermoextrap.data.DataCentralMoments method) (thermoextrap.data.DataCentralMomentsBase method) (thermoextrap.data.DataCentralMomentsVals method) AvgAbsRelDeviation (class in thermoextrap.gpr_active.active_utils) AvgRelVar (class in thermoextrap.gpr_active.active_utils) AvgVar (class in thermoextrap.gpr_active.active_utils) B build_scaled_cov_mat() (thermoextrap.gpr_active.gp_models.HetGaussianDeriv method) build_state() (thermoextrap.gpr_active.active_utils.DataWrapper method) (thermoextrap.gpr_active.ig_active.IG_DataWrapper method) C callback_plot_progress() (in module thermoextrap.adaptive_interp) central (thermoextrap.data.AbstractData property) (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) ChangeInnerOuterRBFDerivKernel (class in thermoextrap.gpr_active.active_utils) check() (thermoextrap.data.DataCallback method) (thermoextrap.data.DataCallbackABC method) (thermoextrap.lnpi.lnPiDataCallback method) (thermoextrap.volume.VolumeDataCallback method) check_poly_consistency() (thermoextrap.recursive_interp.RecursiveInterp method) check_polynomial_consistency() (in module thermoextrap.adaptive_interp) checkPolynomialConsistency() (thermoextrap.recursive_interp.RecursiveInterp method) cmom() (thermoextrap.data.DataCentralMoments method) (thermoextrap.data.DataCentralMomentsBase method) (thermoextrap.data.DataCentralMomentsVals method) coefs() (thermoextrap.models.Derivatives method) (thermoextrap.models.InterpModel method) (thermoextrap.models.StateCollection method) compute_metrics() (thermoextrap.gpr_active.active_utils.StopCriteria method) ConstantMeanWithDerivs (class in thermoextrap.gpr_active.gp_models) create_alpha_grid() (thermoextrap.gpr_active.active_utils.UpdateStopABC method) create_base_GP_model() (in module thermoextrap.gpr_active.active_utils) create_deriv_func() (thermoextrap.volume.VolumeDerivFuncs static method) create_GPR() (in module thermoextrap.gpr_active.active_utils) D data (thermoextrap.models.ExtrapModel attribute) DataCallback (class in thermoextrap.data) DataCallbackABC (class in thermoextrap.data) DataCentralMoments (class in thermoextrap.data) DataCentralMomentsBase (class in thermoextrap.data) DataCentralMomentsVals (class in thermoextrap.data) DataT (class in thermoextrap.core.typing) DataWrapper (class in thermoextrap.gpr_active.active_utils) dbeta_xave() (in module thermoextrap.idealgas) dbeta_xave_depend() (in module thermoextrap.idealgas) dbeta_xave_depend_minuslog() (in module thermoextrap.idealgas) dbeta_xave_minuslog() (in module thermoextrap.idealgas) deriv_args (thermoextrap.data.AbstractData property) (thermoextrap.data.DataCentralMoments property) (thermoextrap.data.DataCentralMomentsBase property) (thermoextrap.data.DataCentralMomentsVals property) deriv_args() (thermoextrap.beta.du_func class method) (thermoextrap.beta.dxdu_func class method) (thermoextrap.beta.u_func class method) (thermoextrap.beta.u_func_central class method) (thermoextrap.beta.x_func_central class method) (thermoextrap.beta.xu_func class method) (thermoextrap.data.DataCallback method) (thermoextrap.data.DataCallbackABC method) (thermoextrap.lnpi.lnPi_func_central class method) (thermoextrap.lnpi.lnPi_func_raw class method) (thermoextrap.lnpi.lnPiDataCallback method) (thermoextrap.models.SymFuncBase class method) (thermoextrap.volume.VolumeDataCallback method) deriv_dim (thermoextrap.data.AbstractData attribute) (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) DerivativeKernel (class in thermoextrap.gpr_active.gp_models) Derivatives (class in thermoextrap.models) derivatives (thermoextrap.models.ExtrapModel attribute) derivs() (thermoextrap.models.Derivatives method) dims_comp (thermoextrap.lnpi.lnPiDataCallback attribute) dims_n (thermoextrap.lnpi.lnPiDataCallback attribute) do_plotting() (thermoextrap.gpr_active.active_utils.UpdateFuncBase method) doit() (thermoextrap.beta.du_func method) (thermoextrap.beta.dxdu_func method) (thermoextrap.beta.u_func method) (thermoextrap.beta.u_func_central method) (thermoextrap.beta.x_func_central method) (thermoextrap.beta.xu_func method) (thermoextrap.lnpi.lnPi_func_central method) (thermoextrap.lnpi.lnPi_func_raw method) (thermoextrap.models.SymDerivBase method) (thermoextrap.models.SymFuncBase method) du (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) du_func (class in thermoextrap.beta) du_selector (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) dun_ave() (thermoextrap.beta.SymDerivBeta class method) dvol_xave() (in module thermoextrap.idealgas) dxdu (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) dxdu_func (class in thermoextrap.beta) dxdu_selector (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) dxduave (thermoextrap.data.DataCentralMoments property) (thermoextrap.data.DataCentralMomentsBase property) (thermoextrap.data.DataCentralMomentsVals property) dxdun_ave() (thermoextrap.beta.SymDerivBeta class method) E ErrorStability (class in thermoextrap.gpr_active.active_utils) eval() (thermoextrap.beta.du_func class method) (thermoextrap.beta.dxdu_func class method) (thermoextrap.beta.u_func class method) (thermoextrap.beta.u_func_central class method) (thermoextrap.beta.x_func_central class method) (thermoextrap.beta.xu_func class method) (thermoextrap.lnpi.lnPi_func_central class method) (thermoextrap.lnpi.lnPi_func_raw class method) (thermoextrap.models.SymFuncBase class method) exprs (thermoextrap.models.Derivatives attribute) extrap_IG() (in module thermoextrap.gpr_active.ig_active) ExtrapModel (class in thermoextrap.models) ExtrapWeightedModel (class in thermoextrap.models) F factory_data_values() (in module thermoextrap.data) factory_derivatives() (in module thermoextrap.beta) (in module thermoextrap.lnpi) (in module thermoextrap.volume) (in module thermoextrap.volume_idealgas) factory_extrapmodel() (in module thermoextrap.beta) (in module thermoextrap.volume) (in module thermoextrap.volume_idealgas) factory_extrapmodel_data() (in module thermoextrap.volume_idealgas) factory_extrapmodel_lnPi() (in module thermoextrap.lnpi) factory_minus_log() (in module thermoextrap.models) factory_perturbmodel() (in module thermoextrap.beta) factory_state_idealgas() (in module thermoextrap.adaptive_interp) fdiff() (thermoextrap.beta.du_func method) (thermoextrap.beta.dxdu_func method) (thermoextrap.beta.u_func method) (thermoextrap.beta.u_func_central method) (thermoextrap.beta.x_func_central method) (thermoextrap.beta.xu_func method) (thermoextrap.lnpi.lnPi_func_central method) (thermoextrap.lnpi.lnPi_func_raw method) (thermoextrap.models.SymFuncBase method) from_ave_central() (thermoextrap.data.DataCentralMoments class method) from_ave_raw() (thermoextrap.data.DataCentralMoments class method) from_data() (thermoextrap.data.DataCentralMoments class method) from_name() (thermoextrap.beta.SymDerivBeta class method) from_raw() (thermoextrap.data.DataCentralMoments class method) from_resample_vals() (thermoextrap.data.DataCentralMoments class method) from_sympy() (thermoextrap.models.Derivatives class method) from_vals() (thermoextrap.data.DataCentralMoments class method) (thermoextrap.data.DataCentralMomentsVals class method) from_vals_kws (thermoextrap.data.DataCentralMomentsVals attribute) funcs (thermoextrap.models.Derivatives attribute) G generate_data() (in module thermoextrap.idealgas) get_data() (thermoextrap.gpr_active.active_utils.DataWrapper method) (thermoextrap.gpr_active.ig_active.IG_DataWrapper method) (thermoextrap.recursive_interp.RecursiveInterp method) get_logweights() (in module thermoextrap.gpr_active.active_utils) get_transformed_GP_output() (thermoextrap.gpr_active.active_utils.UpdateStopABC method) getData() (thermoextrap.recursive_interp.RecursiveInterp method) H HeteroscedasticGPR (class in thermoextrap.gpr_active.gp_models) HetGaussianDeriv (class in thermoextrap.gpr_active.gp_models) I IG_DataWrapper (class in thermoextrap.gpr_active.ig_active) input_GP_from_state() (in module thermoextrap.gpr_active.active_utils) InterpModel (class in thermoextrap.models) InterpModelPiecewise (class in thermoextrap.models) L Lambdify (class in thermoextrap.models) lambdify() (thermoextrap.models.SymDerivBase method) LinearWithDerivs (class in thermoextrap.gpr_active.gp_models) lnPi0 (thermoextrap.lnpi.lnPiDataCallback attribute) lnPi_func_central (class in thermoextrap.lnpi) lnPi_func_raw (class in thermoextrap.lnpi) lnPiDataCallback (class in thermoextrap.lnpi) load_CV_info() (thermoextrap.gpr_active.active_utils.DataWrapper method) load_U_info() (thermoextrap.gpr_active.active_utils.DataWrapper method) load_x_info() (thermoextrap.gpr_active.active_utils.DataWrapper method) M make_matern_expr() (in module thermoextrap.gpr_active.active_utils) make_poly_expr() (in module thermoextrap.gpr_active.active_utils) make_rbf_expr() (in module thermoextrap.gpr_active.active_utils) make_rbf_expr_old() (in module thermoextrap.gpr_active.active_utils) map() (thermoextrap.models.StateCollection method) map_concat() (thermoextrap.models.StateCollection method) MaxAbsRelDeviation (class in thermoextrap.gpr_active.active_utils) MaxAbsRelGlobalDeviation (class in thermoextrap.gpr_active.active_utils) maximum_log_likelihood_objective() (thermoextrap.gpr_active.gp_models.HeteroscedasticGPR method) MaxIter (class in thermoextrap.gpr_active.active_utils) MaxRelGlobalVar (class in thermoextrap.gpr_active.active_utils) MaxRelVar (class in thermoextrap.gpr_active.active_utils) MaxVar (class in thermoextrap.gpr_active.active_utils) MBARModel (class in thermoextrap.models) meta (thermoextrap.data.AbstractData attribute) (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) MetricBase (class in thermoextrap.gpr_active.active_utils) minus_log (thermoextrap.models.ExtrapModel attribute) module thermoextrap thermoextrap.adaptive_interp thermoextrap.beta thermoextrap.core.typing thermoextrap.data thermoextrap.gpr_active thermoextrap.gpr_active.active_utils thermoextrap.gpr_active.gp_models thermoextrap.gpr_active.ig_active thermoextrap.idealgas thermoextrap.lnpi thermoextrap.models thermoextrap.recursive_interp thermoextrap.volume thermoextrap.volume_idealgas MSD (class in thermoextrap.gpr_active.active_utils) mu (thermoextrap.lnpi.lnPiDataCallback attribute) mudotN (thermoextrap.lnpi.lnPiDataCallback attribute) multiOutput_extrap_IG() (in module thermoextrap.gpr_active.ig_active) multioutput_multivariate_normal() (in module thermoextrap.gpr_active.gp_models) MyAttrsMixin (class in thermoextrap.core._attrs_utils) N ncoords (thermoextrap.lnpi.lnPiDataCallback attribute) new_like() (thermoextrap.core._attrs_utils.MyAttrsMixin method) (thermoextrap.data.AbstractData method) (thermoextrap.data.DataCallback method) (thermoextrap.data.DataCallbackABC method) (thermoextrap.data.DataCentralMoments method) (thermoextrap.data.DataCentralMomentsBase method) (thermoextrap.data.DataCentralMomentsVals method) O order (thermoextrap.data.AbstractData property) (thermoextrap.data.DataCentralMoments property) (thermoextrap.data.DataCentralMomentsBase property) (thermoextrap.data.DataCentralMomentsVals property) P PerturbModel (class in thermoextrap.models) PiecewiseStateCollection (class in thermoextrap.models) predict() (thermoextrap.models.ExtrapModel method) (thermoextrap.models.ExtrapWeightedModel method) (thermoextrap.models.InterpModel method) (thermoextrap.models.InterpModelPiecewise method) (thermoextrap.models.MBARModel method) (thermoextrap.models.StateCollection method) (thermoextrap.recursive_interp.RecursiveInterp method) predict_f() (thermoextrap.gpr_active.gp_models.HeteroscedasticGPR method) predict_log_density() (thermoextrap.gpr_active.gp_models.HeteroscedasticGPR method) predict_y() (thermoextrap.gpr_active.gp_models.HeteroscedasticGPR method) R RBFDerivKernel (class in thermoextrap.gpr_active.active_utils) rec_dim (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) recursive_train() (thermoextrap.recursive_interp.RecursiveInterp method) RecursiveInterp (class in thermoextrap.recursive_interp) recursiveTrain() (thermoextrap.recursive_interp.RecursiveInterp method) reduce() (thermoextrap.data.DataCallback method) (thermoextrap.data.DataCallbackABC method) (thermoextrap.data.DataCentralMoments method) relative_fluctuations() (in module thermoextrap.adaptive_interp) resample() (thermoextrap.core.typing.SupportsStateCollection method) (thermoextrap.data.DataCallback method) (thermoextrap.data.DataCallbackABC method) (thermoextrap.data.DataCentralMoments method) (thermoextrap.data.DataCentralMomentsVals method) (thermoextrap.lnpi.lnPiDataCallback method) (thermoextrap.models.ExtrapModel method) (thermoextrap.models.MBARModel method) (thermoextrap.models.StateCollection method) (thermoextrap.volume.VolumeDataCallback method) resample_values (thermoextrap.data.DataCentralMomentsVals attribute) rmom() (thermoextrap.data.DataCentralMoments method) (thermoextrap.data.DataCentralMomentsBase method) (thermoextrap.data.DataCentralMomentsVals method) run_sim() (thermoextrap.gpr_active.active_utils.SimWrapper method) (thermoextrap.gpr_active.ig_active.SimulateIG method) S sequential_train() (thermoextrap.recursive_interp.RecursiveInterp method) sequentialTrain() (thermoextrap.recursive_interp.RecursiveInterp method) SimulateIG (class in thermoextrap.gpr_active.ig_active) SimWrapper (class in thermoextrap.gpr_active.active_utils) StateCollection (class in thermoextrap.models) StopCriteria (class in thermoextrap.gpr_active.active_utils) SupportsData (class in thermoextrap.core.typing) SupportsDataXU (class in thermoextrap.core.typing) SupportsGetItem (class in thermoextrap.core.typing) SupportsIdentityTransform (class in thermoextrap.core.typing) SupportsModel (class in thermoextrap.core.typing) SupportsModelDataT (class in thermoextrap.core.typing) SupportsModelDataT_co (class in thermoextrap.core.typing) SupportsModelDerivs (class in thermoextrap.core.typing) SupportsModelDerivsDataArrayT (class in thermoextrap.core.typing) SupportsModelDerivsDataT (class in thermoextrap.core.typing) SupportsModelT_co (class in thermoextrap.core.typing) SupportsStateCollection (class in thermoextrap.core.typing) SymDerivBase (class in thermoextrap.models) SymDerivBeta (class in thermoextrap.beta) SymFuncBase (class in thermoextrap.models) SymMinusLog (class in thermoextrap.models) SympyMeanFunc (class in thermoextrap.gpr_active.gp_models) T T_co (class in thermoextrap.core.typing) taylor_series_norm() (in module thermoextrap.models) tcall() (thermoextrap.beta.du_func class method) (thermoextrap.beta.dxdu_func class method) (thermoextrap.beta.u_func class method) (thermoextrap.beta.u_func_central class method) (thermoextrap.beta.x_func_central class method) (thermoextrap.beta.xu_func class method) (thermoextrap.lnpi.lnPi_func_central class method) (thermoextrap.lnpi.lnPi_func_raw class method) (thermoextrap.models.SymFuncBase class method) thermoextrap module thermoextrap.adaptive_interp module thermoextrap.beta module thermoextrap.core.typing module thermoextrap.data module thermoextrap.gpr_active module thermoextrap.gpr_active.active_utils module thermoextrap.gpr_active.gp_models module thermoextrap.gpr_active.ig_active module thermoextrap.idealgas module thermoextrap.lnpi module thermoextrap.models module thermoextrap.recursive_interp module thermoextrap.volume module thermoextrap.volume_idealgas module train_GPR() (in module thermoextrap.gpr_active.active_utils) train_iterative() (in module thermoextrap.adaptive_interp) train_recursive() (in module thermoextrap.adaptive_interp) U u (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) u_ave() (thermoextrap.beta.SymDerivBeta class method) u_func (class in thermoextrap.beta) u_func_central (class in thermoextrap.beta) u_prob() (in module thermoextrap.idealgas) u_sample() (in module thermoextrap.idealgas) u_selector (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) umom_dim (thermoextrap.data.AbstractData attribute) (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) un_ave() (thermoextrap.beta.SymDerivBeta class method) UpdateAdaptiveIntegrate (class in thermoextrap.gpr_active.active_utils) UpdateALMbrute (class in thermoextrap.gpr_active.active_utils) UpdateFuncBase (class in thermoextrap.gpr_active.active_utils) UpdateRandom (class in thermoextrap.gpr_active.active_utils) UpdateSpaceFill (class in thermoextrap.gpr_active.active_utils) UpdateStopABC (class in thermoextrap.gpr_active.active_utils) uv (thermoextrap.data.DataCentralMomentsVals attribute) V values (thermoextrap.data.DataCentralMoments property) (thermoextrap.data.DataCentralMomentsBase property) (thermoextrap.data.DataCentralMomentsVals property) VolumeDataCallback (class in thermoextrap.volume) VolumeDerivFuncs (class in thermoextrap.volume) VolumeDerivFuncsIG (class in thermoextrap.volume_idealgas) W weight (thermoextrap.data.DataCentralMomentsVals attribute) window() (in module thermoextrap.adaptive_interp) X x_ave() (in module thermoextrap.idealgas) (thermoextrap.beta.SymDerivBeta class method) x_beta_extrap() (in module thermoextrap.idealgas) x_beta_extrap_depend() (in module thermoextrap.idealgas) x_beta_extrap_depend_minuslog() (in module thermoextrap.idealgas) x_beta_extrap_minuslog() (in module thermoextrap.idealgas) x_cdf() (in module thermoextrap.idealgas) x_func_central (class in thermoextrap.beta) x_is_u (thermoextrap.data.AbstractData attribute) (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) x_prob() (in module thermoextrap.idealgas) x_sample() (in module thermoextrap.idealgas) x_var() (in module thermoextrap.idealgas) x_vol_extrap() (in module thermoextrap.idealgas) xalpha (thermoextrap.data.AbstractData property) (thermoextrap.data.DataCentralMoments property) (thermoextrap.data.DataCentralMomentsBase property) (thermoextrap.data.DataCentralMomentsVals property) xave (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) xave_selector (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) xmom_dim (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) xr_weights_minkowski() (in module thermoextrap.models) xu (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) xu_func (class in thermoextrap.beta) xu_selector (thermoextrap.data.DataCentralMoments attribute) (thermoextrap.data.DataCentralMomentsBase attribute) (thermoextrap.data.DataCentralMomentsVals attribute) xun_ave() (thermoextrap.beta.SymDerivBeta class method) xv (thermoextrap.data.DataCentralMomentsVals attribute)