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zincware / IPSuite

Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
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Do not circumvent DVC filesystem #301

Closed PythonFZ closed 4 months ago

PythonFZ commented 5 months ago

First highlighted here, there should never be an exception to not go through the DVCFileSystem.

That is a good point. Actually I modified the ProcessAtoms base class which also uses that line, and have to admit that I don't know if it is needed. Maybe we can talk about the atoms and file handling so I can adjust this in the base class too?

_Originally posted by @Tetracarbonylnickel in https://github.com/zincware/IPSuite/pull/299#discussion_r1609383094_

Tetracarbonylnickel commented 4 months ago

resolved with PR #299