pytc.legacyΒΆ

Legacy NumPy-based implementations of TC/XTC.

This module contains the original NumPy implementations of transcorrelated integrals. It is maintained for backward compatibility, testing, and rapid prototyping. For production use, prefer the JAX-based autodiff implementations in the main pytc package.

Submodules

df

This module implements the density-fitting for transcorrelated integrals.

jastrow

Jastrow factor implementations.

kmat

lmat

This module implements the three-electron matrix elements L.

tc

This module implements the Transcorrelated method.

test

Tests for pytc.legacy.

xtc