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multioptpy/Optimizer/rsirfo.py

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@@ -187,6 +187,7 @@ def run(self, geom_num_list, B_g, pre_B_g=[], pre_geom=[], B_e=0.0, pre_B_e=0.0,
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# Create the image Hessian H_star and image gradient grad_star
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H_star = np.dot(P, H)
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H_star = 0.5 * (H_star + H_star.T) # Symmetrize the Hessian
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grad_star = np.dot(P, gradient)
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# Compute eigenvalues and eigenvectors of the image Hessian

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