Skip to content

Commit

Permalink
Update variable names in 03_Learn.ipynb
Browse files Browse the repository at this point in the history
  • Loading branch information
pmrv authored Aug 28, 2024
1 parent 23a917a commit edd927a
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions notebooks/assyst/03_Learn.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -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",
Expand Down Expand Up @@ -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",
Expand Down

0 comments on commit edd927a

Please sign in to comment.