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gs_list in RIXS solvers #117

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mpmdean opened this issue Jul 13, 2021 · 0 comments

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mpmdean commented Jul 13, 2021 •

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This line assumes gs_list includes all integers up to a maximum value

edrixs/edrixs/solvers.py

Line 524 in ee44cb5

F_fi = scattering_mat(eval_i, eval_n, trans_op[:, :, 0:max(gs_list)+1],

In the docs, it appears that it is defined in a more general way
"The indices of initial states which will be used in XAS calculations."

This would be more general

        F_fi = scattering_mat(eval_i, eval_n, trans_op[:, :, gs_list])

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