From edd927a4fa2e9a4010696b52a40696fed64a72be Mon Sep 17 00:00:00 2001 From: Marvin Poul Date: Wed, 28 Aug 2024 22:50:52 +0200 Subject: [PATCH] Update variable names in 03_Learn.ipynb --- notebooks/assyst/03_Learn.ipynb | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/notebooks/assyst/03_Learn.ipynb b/notebooks/assyst/03_Learn.ipynb index 25cda74f..f33192a2 100644 --- a/notebooks/assyst/03_Learn.ipynb +++ b/notebooks/assyst/03_Learn.ipynb @@ -160,14 +160,14 @@ "\u001b[0;31mDocstring:\u001b[0m\n", "Fit a potential to the given structures.\n", "\n", - "If min_dist, max_dist or level are iterables the function is broadcasted\n", + "If rmin, rmax or level are iterables the function is broadcasted\n", "over them.\n", "\n", "Args:\n", " fit_pr (Project): project that contains the fitting jobs\n", " train (TrainingContainer): container that keeps all the structures\n", - " min_dist (float, Iterable[float]): lower cut off of the potential\n", - " max_dist (float, Iterable[float]): upper cut off of the potential\n", + " rmin (float, Iterable[float]): lower cut off of the potential\n", + " rmax (float, Iterable[float]): upper cut off of the potential\n", " level (int, Iterable[int]): level of the potential\n", " energy_weight (float): relative weight of energy error in cost function\n", " force_weight (float): relative weight of force error in cost function\n", @@ -222,9 +222,9 @@ "plearn.fit(\n", " pr,\n", " every,\n", - " # min_dist, max_dist and level can be given as scalar values or as lists. If lists one potential is fit for each\n", - " min_dist=2.2,\n", - " max_dist=[4, 5, 6],\n", + " # rmin, rmax and level can be given as scalar values or as lists. If lists one potential is fit for each\n", + " rmin=2.2,\n", + " rmax=[4, 5, 6],\n", " level=[8, 12, 16],\n", " # Whether to re-run a fit but using the results of the first fit as starting values; this sometimes produces a better potential, but not reliably\n", " refit=False,\n",