Notebook for SPICE nao_nr() stats

graphcore-research / pyscf-ipu

PySCF on IPU

Apache License 2.0

42 stars 2 forks source link

Closed paolot-gc closed 1 year ago

paolot-gc commented 1 year ago

Notebook that computes and displays a histogram of the number of orbitals for the molecules in the SPICE dataset.

review-notebook-app[bot] commented 1 year ago

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AlexanderMath commented 1 year ago

Amazing, thanks Paolo!