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Fix failing errors regarding lammpsio box. #307

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Merged
mphoward merged 1 commit into from
Aug 27, 2025
Merged

Fix failing errors regarding lammpsio box. #307

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4 changes: 2 additions & 2 deletions src/relentless/simulate/lammps.py
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Original file line number Diff line number Diff line change
Expand Up @@ -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(
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