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mir-group / flare

An open-source Python package for creating fast and accurate interatomic potentials.
https://mir-group.github.io/flare
MIT License
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Structure(cell, coded_species, pos, cutoff, descriptors) MemoryError: std::bad_alloc #429

Open siinghim opened 1 week ago

siinghim commented 1 week ago

I am trying to learn sparse_gp_tutorial.ipynb. When I increase the size of training_size and validation_size, an error occured.

Structure(cell, coded_species, pos, cutoff, descriptors) 
    MemoryError: std::bad_alloc

I want to use it to deal with large system. How can I prevent the this error?