From 696d108d971d73b5c43ce0b5c298253c495566fe Mon Sep 17 00:00:00 2001 From: clpetix Date: Wed, 27 Aug 2025 09:05:53 -0500 Subject: [PATCH] Fix failing errors regarding box. --- src/relentless/simulate/lammps.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/relentless/simulate/lammps.py b/src/relentless/simulate/lammps.py index 8ff31266..bdb4a969 100644 --- a/src/relentless/simulate/lammps.py +++ b/src/relentless/simulate/lammps.py @@ -518,8 +518,8 @@ def _convert_to_data_file(self, sim): # fix up 2d boxes that may not be compatible with lammps if dimension == 2: if frame.configuration.box[2] == 0: - snap.low[2] = -0.5 - snap.high[2] = 0.5 + snap.box.low[2] = -0.5 + snap.box.high[2] = 0.5 if snap.box.tilt is not None: snap.box.tilt[1:] = 0.0 lammpsio.DataFile.create(