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Fix xyz parser (#44), better error messages (#43) #45

Merged

caprilesport merged 4 commits into main from errors

Feb 3, 2024

Owner

caprilesport commented Feb 3, 2024

Remove unused imports
change if else to match in molecule parser
make find_config a struct method, add log for writing inputs
Improve errors

caprilesport added 4 commits

February 3, 2024 12:03


Remove unused imports

beb4f8b


change if else to match in molecule parser

005695d


make find_config a struct method, add log for writing inputs

06919c3


Improve errors

caprilesport merged commit a384463 into main

1 check passed

caprilesport deleted the errors branch

February 3, 2024 16:48

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