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Foyer documentation example usage does not work #608

@xingyu-alfred-liu

Description

@xingyu-alfred-liu

Bug summary

Was playing with the example usage snippet in this page: https://foyer.mosdef.org/en/stable/topic_guides/usage_examples.html

Code to reproduce the behavior

# Paste your code here
import mbuild as mb
from mbuild.lib.molecules import Ethane

ethane_box = mb.fill_box(compound=Ethane(), n_compounds=100, box=[2, 2, 2])
ethane_box.save('ethane-box.gro')
ethane_box.save('ethane-box.top', forcefield_name='oplsaa')

Software versions

  • Which version of Foyer are you using? (python -c "import foyer; print(foyer.__version__)") 1.0.0
  • Which version of Python (python --version)? python 3.11.11
  • Which operating system? Ubuntu 22.04
# version check
>>> import foyer
>>> foyer.__version__
'1.0.0'
>>> import numpy
>>> numpy.__version__
'2.2.0'
>>> import mbuild
>>> mbuild.__version__
'1.0.0'

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