doc for box_triclinic

JiQi535 · May 8, 2023 · 1e66e45 · 1e66e45
1 parent 8d622c3
commit 1e66e45
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/maml/apps/pes/_lammps.py b/maml/apps/pes/_lammps.py
@@ -847,6 +847,8 @@ def __init__(
                 during the minimization.
             box_relax_keywords (str): Keywords and values to define the conditions
                 and constraints on the box size and shape.
+            box_triclinic (bool): Whether to change box to triclinic so that
+                LAMMPS can adjust x, y and z independently in relaxation.
             min_style (str): The minimization algorithm to use.
             etol (float): The stopping tolerance for energy during the minimization.
             ftol (float): The stopping tolerance for force during the minimization.