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The "Foyer XML" files available within Siepmann's website for the TRAPPE-UA forcefield are incompatible with latest FOYER version 0.7.6.
Code to reproduce behavior
from foyer import Forcefield trappe = Forcefield(forcefield_files='TraPPE_UA_2_fully_flexible_ethane.xml')
Output:
DocumentInvalid: Element 'ForceField', attribute 'model': The attribute 'model' is not allowed., line 1
I think this error may be due to incorrect syntax on my part.
The text was updated successfully, but these errors were encountered:
Hi! Thanks for opening an issue! I have downloaded the XML from the website and see several syntax errors:
method
ForceField
Bond
doi
Sorry, something went wrong.
Has this been fixed? If no, can we get someone from the Siepmann group to address this issue. @ramanishsingh or someone else?
Updates on this?
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The "Foyer XML" files available within Siepmann's website for the TRAPPE-UA forcefield are incompatible with latest FOYER version 0.7.6.
Code to reproduce behavior
Output:
DocumentInvalid: Element 'ForceField', attribute 'model': The attribute 'model' is not allowed., line 1
I think this error may be due to incorrect syntax on my part.
The text was updated successfully, but these errors were encountered: