Simplify error #211
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Simplify error #211
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Merge dev to main
Add missing space to call to UF.get_box()
…to refer only to enlargeBox instead of options.enlargeBox
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These three line changes look good to me. |
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I think this is ready to merge and should not require another attempt (famous last words). |
psauvan
approved these changes
Jun 7, 2024
psauvan
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Jun 17, 2024
* Patch for #203 * Responding to comments on #206 * Update core.py Add missing space to call to UF.get_box() * Replace all get_box calls to have options.enlargeBox, change get_box to refer only to enlargeBox instead of options.enlargeBox --------- Co-authored-by: AlvaroCubi <55387701+AlvaroCubi@users.noreply.github.com> Co-authored-by: Grammer, Kyle <grammerkb@ornl.gov>
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Description
The get_box function in functions.py took the parameters comp and options, and used only options.enlargeBox. The previous fix in core.py for the call to this function passed self.options.enlargeBox. cut_box has been changed to take the parameters comp and enlargeBox.
An additional call to cut_box is in cell_definition.py that was missing the second parameter. The call here has been replaced with changed from only "m" to "m" and options.enlargeBox.
The result of the first issue is that simplify = "full" fails.
Fixes issue
Previous fix to #203 was not sufficient. This should be.
Checklist