Previously, the lammpstrjconvert.py script would throw an error due to the argument nmols being taken as a list of strings by default. I fixed it by specifying type=int.
I also added pregen to the listed allowable sim types in the error message displayed when an invalid sim type keyword is read from the input file.
Related Issue
Closes #120
How Has This Been Tested?
The lammpstrjconvert.py script ran successfully after the implementation of the argument type fix.
Backward Compatibility
No change.
Post Submission Checklist
Please check the fields below as they are completed
[x] My name is in the contributor list at /Documentation/source/reference/acknowledgements.rst
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Description
Previously, the
lammpstrjconvert.pyscript would throw an error due to the argumentnmolsbeing taken as a list of strings by default. I fixed it by specifyingtype=int.I also added
pregento the listed allowable sim types in the error message displayed when an invalid sim type keyword is read from the input file.Related Issue
Closes #120
How Has This Been Tested?
The lammpstrjconvert.py script ran successfully after the implementation of the argument type fix.
Backward Compatibility
No change.
Post Submission Checklist
Please check the fields below as they are completed
/Documentation/source/reference/acknowledgements.rstFurther Information, Files, and Links
Any additional information here, attach relevant text or image files and URLs to external sites, publications , etc.