Commit 417a0294 authored by hebrewsnabla's avatar hebrewsnabla
Browse files

add warning

parent b39a1d95
......@@ -4,12 +4,18 @@ from pyscf import mcscf, mrpt, gto, scf
import numpy as np
import scipy
from functools import partial, reduce
from lo import pm
try:
from lo import pm
from auto_pair import pair_by_tdm
except:
print('Warning: lo/auto_pair not found. Orbital localization is disabled. Install MOKIT if you need that.')
from pyscf.lo.boys import dipole_integral
from auto_pair import pair_by_tdm
from automr import dump_mat, bridge, cidump
import sys, os
from pyphf import suscf
try:
from pyphf import suscf
except:
print('Warning: pyphf not found. SUHF is disabled. Install ExSCF if you need that.')
print = partial(print, flush=True)
einsum = partial(np.einsum, optimize=True)
......
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