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Fix GKCI import problem #87

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Merged
msricher merged 1 commit into from
Dec 12, 2024
Merged

Fix GKCI import problem #87

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7 changes: 4 additions & 3 deletions pyci/gkci.py
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Original file line number Diff line number Diff line change
Expand Up @@ -16,9 +16,10 @@
r"""PyCI Griebel-Knapek CI module."""

import numpy as np

from scipy.special import gammaln, polygamma

import pyci._pyci as pyci
from pyci.utility import odometer_one_spin, odometer_two_spin


__all__ = [
Expand Down Expand Up @@ -73,9 +74,9 @@ def add_gkci(wfn, t=-0.5, p=1.0, mode="cntsp", dim=3, energies=None, width=None)

# Run odometer algorithm
if isinstance(wfn, (pyci.doci_wfn, pyci.genci_wfn)):
pyci.odometer_one_spin(wfn, cost=nodes, qmax=q_max, t=t)
odometer_one_spin(wfn, cost=nodes, qmax=q_max, t=t)
elif isinstance(wfn, pyci.fullci_wfn):
pyci.odometer_two_spin(wfn, cost=nodes, qmax=q_max, t=t)
odometer_two_spin(wfn, cost=nodes, qmax=q_max, t=t)
else:
raise TypeError(f"invalid `wfn` type `{type(wfn)}`; must be `pyci.wavefunction`")

Expand Down
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