Removed old eigh functionality

grad_dft/molecule.py

@@ -16,7 +16,6 @@
 from dataclasses import fields
 from grad_dft.utils import Array, Scalar, PyTree, vmap_chunked
 from functools import partial
-from grad_dft.utils.eigenproblem import safe_general_eigh
 
 from jax import numpy as jnp
 from jax import scipy as jsp
@@ -565,27 +564,9 @@ def chunked_jvp(chi_tensor, gr_tensor, ao_tensor):
 
     return (jax.jit(chunked_jvp)(chi.transpose(3, 0, 1, 2), gr, ao)).transpose(1, 2, 3, 0)
 
-
-def eig(h, x):
-    e0, c0 = eigh2d(h[0], x)
-    e1, c1 = eigh2d(h[1], x)
-    return jnp.stack((e0, e1), axis=0), jnp.stack((c0, c1), axis=0)
-
 def abs_clip(arr, threshold):
     return jnp.where(jnp.abs(arr) > threshold, arr, 0)
 
-def general_eigh(A, B):
-    L = jnp.linalg.cholesky(B)
-    L_inv = jnp.linalg.inv(L)
-    C = L_inv @ A @ L_inv.T
-    C = abs_clip(C, 1e-20)
-    eigenvalues, eigenvectors_transformed = jnp.linalg.eigh(C)
-    # eigenvalues, eigenvectors_transformed = jsp.linalg.eigh(C)
-    eigenvectors_original = L_inv.T @ eigenvectors_transformed
-    eigenvectors_original = abs_clip(eigenvectors_original, 1e-20)
-    eigenvalues = abs_clip(eigenvalues, 1e-20)
-    return eigenvalues, eigenvectors_original
-
 
 ######################################################################