diff --git a/ciderpress/pyscf/analyzers.py b/ciderpress/pyscf/analyzers.py index 532eff8..624883c 100644 --- a/ciderpress/pyscf/analyzers.py +++ b/ciderpress/pyscf/analyzers.py @@ -3,8 +3,9 @@ import numpy as np from pyscf import dft, gto, lib, scf from pyscf.dft.gen_grid import Grids +from pyscf.sgx.sgx import sgx_fit -from ciderpress.external.sgx_tools import get_jk_densities, sgx_fit +from ciderpress.external.sgx_tools import get_jk_densities CALC_TYPES = { "RHF": scf.hf.RHF,