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1 parent 70d9f90 commit dfeb7cbCopy full SHA for dfeb7cb
adcc/DataHfProvider.py
@@ -209,7 +209,6 @@ def get_integral_quad(gauge_origin):
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if gauge_origin != 'origin':
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integral_string = f'{integral_string}_{gauge_origin}'
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return np.asarray(mmp[integral_string])
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- print('hello')
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if mmp["elec_2"].shape != (9, nb, nb):
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raise ValueError("multipoles/elec_2 is expected to have "
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"shape " + str((9, nb, nb)) + " not "
adcc/ReferenceState.py
@@ -224,4 +224,5 @@ def dipole_moment(self):
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# Notice the negative sign due to the negative charge of the electrons
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return self.nuclear_dipole - np.array([product_trace(comp, self.density)
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for comp in dipole_integrals])
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+
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# TODO some nice describe method
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