Issues · graphcore-research/pyscf-ipu · GitHub

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Code tidying

#128

· awf opened

on Oct 18, 2023

Add derivation for binom_factor

#120

· hatemhelal opened

on Oct 9, 2023

Excessive padding used in `eri_primitives`

#117

· hatemhelal opened

on Oct 4, 2023

Investigate long compilation time with `eri_primitives` when using vmap

#105

· hatemhelal opened

on Sep 21, 2023

Do everything except one operation in float64

#100

· AlexanderMath opened

on Sep 20, 2023

Add performance benchmark tests

#98

· hatemhelal opened

on Sep 20, 2023

Port libcint to poplar.

#95

· AlexanderMath opened

on Sep 19, 2023

Merge `nanoDFT` and `experimental_nanoDFT`

#94

· AlexanderMath opened

on Sep 19, 2023

Add ipu specialised implementations of special functions used in experimental.integrals

#93

· hatemhelal opened

on Sep 19, 2023

Implement conversion from cartesian to spherical basis in experimental.integrals

#92

· hatemhelal opened

on Sep 19, 2023

Incorporate type annotations including the array shape in nanoDFT IterationState class

#89

· hatemhelal opened

on Sep 18, 2023

Use sparse representation for `grid_AO` and write sparse matmul for `exchange_correlation(...)`

#88

· blazejba opened

on Sep 14, 2023