quemb.kbe.pbe.IntTransforms

quemb.kbe.pbe.IntTransforms

Literal type describing allowed transformation strategies.

• "out-core-DF": Use a dense, DF representation of integrals. The DF integrals \((\mu, \nu | P)\) are stored on disc. libdmet is used as the backend, which reads AO DF integrals from the mean-field object (stored in disk) or cderi file (stored in disk).

• "int-direct-DF": Use a dense, DF representation of integrals. The required DF integrals \((\mu, \nu | P)\) are computed and fitted on-demand for each fragment. Charge compensation is used for faster convergence.

alias of Literal[‘out-core-DF’, ‘int-direct-DF’]