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cersonsky-lab / AniSOAP

Library for computing anisotropy extension to SOAP descriptors
Apache License 2.0
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added warning for passing in integer, and cast any int arguments to f… #13

Closed arthur-lin1027 closed 1 year ago

arthur-lin1027 commented 1 year ago

…loats automatically

rosecers commented 1 year ago

It's not generally recommended for packages to modify user inputs for wrong types -- can we just throw an error and leave it to users to fix their input type?

arthur-lin1027 commented 1 year ago

Done, now raises an error if an int is passed