From d30232436b8533a97a3e181081f8dc5fe8c9f805 Mon Sep 17 00:00:00 2001 From: Michele Nottoli <michele.nottoli@gmail.com> Date: Mon, 6 Nov 2023 11:07:04 +0100 Subject: [PATCH] Updated list of options. --- README.md | 12 ++++++++++-- 1 file changed, 10 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 67fb2ae..9b7e3b2 100644 --- a/README.md +++ b/README.md @@ -43,8 +43,16 @@ The behavior can be finely controlled by passing additional keyword arguments to This is an up to date list of available keyword options: - - `nsteps`: integer parameter, number of steps to be used in the extrapolation. - **Note:** Calling `guess` before loading `nsteps` data points will cause a `ValueError`. + - `nsteps`: integer, default 6, number of steps to be used in the extrapolation. + - `verbose`: boolean, default False, if True print additional information. + - `descriptor`: string, default "distance", possible options are "distance" and "coulomb". + - `fitting`: string, default "leastsquare", possible options are "leastsquare" and "qtr". + - `allow_partially_filled`: bool, default True. If True allow to do a guess before `nsteps` data points have been loaded, if False asking for a guess before `nsteps` data points will cause a `ValueError`. + - `store_overlap`: bool, default True. Store the overlaps for later usage in calling guess without passing the current overlap. It can be disabled for performance, but calling guess will require passing the overlap. + +Some options can be piped to the fitting modules. + - `fitting_regularization`: float, default 0.0. Controls the regularization for both the "leastsquare" and "qtr" fitting schemes. + ## Acknowledgments -- GitLab