zincware / IPSuite

Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
19 stars 11 forks source link

File is being read while building the graph? #263

Open PythonFZ opened 9 months ago

PythonFZ commented 9 months ago

https://github.com/zincware/IPSuite/blob/5569ed4979fb707497cec8cebd7eee07e3d1e72e/ipsuite/data_loading/add_data_ase.py#L66-L68