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Update adcc/testdata/dump_fdiff_gradient.py
Co-authored-by: Michael F. Herbst <info@michael-herbst.com>
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adcc/testdata/dump_fdiff_gradient.py

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@@ -66,8 +66,7 @@ def _molstring(elems, coords):
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def adc_energy(scfres, method, **kwargs):
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state = adcc.run_adc(method=method, data_or_matrix=scfres,
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output=None,
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**kwargs)
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output=None, **kwargs)
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return state.total_energy
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