ITADN

Foyer documentation example usage does not work

#608Openxingyu-alfred-liu 创建于 2025-03-27
**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** ```python # 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 ```python # version check >>> import foyer >>> foyer.__version__ '1.0.0' >>> import numpy >>> numpy.__version__ '2.2.0' >>> import mbuild >>> mbuild.__version__ '1.0.0' ```
1 条评论