Code

Some changes#89

Code

Merged

susilehtola merged 4 commits intomastersusilehtola/erkale:masterfrom changessusilehtola/erkale:changesCopy head branch name to clipboardJan 15, 2024

+49-41

Commits

Commits on Jan 15, 2024

• Expose partial Cholesky orthogonalization in header

  susilehtola

  committed
  2c0c8aa

  Copy full SHA for 2c0c8aa

• Expose another way to compute nuclear attraction matrices

  susilehtola

  committed
  f8eb6ad

  Copy full SHA for f8eb6ad

• Use pivoted Cholesky in determining auxiliary basis for density fitting

  susilehtola

  committed
  c743617

  Copy full SHA for c743617

• Density matrix digestion

  susilehtola

  committed
  8808417

  Copy full SHA for 8808417