From de354fb8ac1d0704233a095c4d11ad1d362cea24 Mon Sep 17 00:00:00 2001 From: Tingzheng Hou Date: Sun, 5 Nov 2023 18:59:02 +0800 Subject: [PATCH] Update packmol.py fix monty.os.which deprecation --- mdgo/util/packmol.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mdgo/util/packmol.py b/mdgo/util/packmol.py index c69e6bc2..97d79d37 100644 --- a/mdgo/util/packmol.py +++ b/mdgo/util/packmol.py @@ -19,7 +19,7 @@ from typing import Dict, List, Optional, Union from pymatgen.core import Molecule -from monty.os.path import which +from shutil import which # from pymatgen.io.core import InputFile, InputSet, InputGenerator