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relax sanity_check wavefunction for alkaline atoms
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src/ryd_numerov/radial/wavefunction.py

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@@ -283,6 +283,10 @@ def sanity_check(self, z_stop: float, run_backward: bool) -> bool: # noqa: C901
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elif n <= 16:
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tol = 2e-3
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species = self.radial_state.species
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if species.number_valence_electrons == 2:
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tol = 2e-2
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if inner_weight_scaled_to_whole_grid > tol:
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warning_msgs.append(
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f"The wavefunction is not close to zero at the inner boundary"

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