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remove unused calcs
1 parent ae5da4a commit 0f4d218

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CodeEntropy/axes.py

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@@ -73,9 +73,6 @@ def get_residue_axes(self, data_container, index):
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make_whole(data_container.atoms)
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trans_axes = data_container.atoms.principal_axes()
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rot_axes, moment_of_inertia = self.get_vanilla_axes(residue)
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# rot_axes = np.real(residue.principal_axes())
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# eigenvalues, _ = np.linalg.eig(residue.moment_of_inertia(unwrap=True))
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# moment_of_inertia = sorted(eigenvalues, reverse=True)
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center = residue.center_of_mass(unwrap=True)
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return trans_axes, rot_axes, center, moment_of_inertia

CodeEntropy/levels.py

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@@ -268,9 +268,6 @@ def get_combined_forcetorque_matrices(
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make_whole(bead)
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trans_axes = data_container.atoms.principal_axes()
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rot_axes, moment_of_inertia = axes_manager.get_vanilla_axes(bead)
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# rot_axes = np.real(bead.principal_axes())
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# eigenvalues, _ = np.linalg.eig(bead.moment_of_inertia(unwrap=True))
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# moment_of_inertia = sorted(eigenvalues, reverse=True)
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center = bead.center_of_mass(unwrap=True)
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# Sort out coordinates, forces, and torques for each atom in the bead

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