pytc.df.isdfΒΆ
JAX implementation of Density Fitting / ISDF.
Functions
Historical exact-greedy gradient selector (batch-size-one contract). |
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Historical exact-greedy density selector (batch-size-one contract). |
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Perform ISDF decomposition of orbitals and their gradients. |
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Prepare robust Cholesky factor for repeated batched solves. |