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https://github.com/LCPQ/quantum_package
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ezfio.pseudo_intergrals => ezfio.pseudo_integrals
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parent
2b32318cb9
commit
dc20ea7c07
@ -311,11 +311,11 @@ if __name__ == "__main__":
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# ~#~#~#~#~ #
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# ~#~#~#~#~ #
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klocmax = max([len(i) for i in v_k])
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klocmax = max([len(i) for i in v_k])
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ezfio.pseudo_intergrals_klocmax = klocmax
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ezfio.pseudo_integrals_klocmax = klocmax
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ezfio.pseudo_intergrals_v_k = zip(*v_k)
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ezfio.pseudo_integrals_v_k = zip(*v_k)
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ezfio.pseudo_intergrals_n_k = zip(*n_k)
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ezfio.pseudo_integrals_n_k = zip(*n_k)
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ezfio.pseudo_intergrals_dz_k = zip(*dz_k)
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ezfio.pseudo_integrals_dz_k = zip(*dz_k)
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# ~#~#~#~#~#~#~#~#~ #
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# ~#~#~#~#~#~#~#~#~ #
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# N o n _ L o c a l #
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# N o n _ L o c a l #
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@ -324,15 +324,15 @@ if __name__ == "__main__":
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lmax = max([len(i) for i in v_kl])
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lmax = max([len(i) for i in v_kl])
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kmax = max([len(sublist) for list_ in v_kl for sublist in list_])
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kmax = max([len(sublist) for list_ in v_kl for sublist in list_])
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ezfio.pseudo_intergrals_lmaxpo = lmax
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ezfio.pseudo_integrals_lmaxpo = lmax
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ezfio.pseudo_intergrals_kmax = kmax
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ezfio.pseudo_integrals_kmax = kmax
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v_kl = make_it_square(v_kl, [lmax, kmax])
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v_kl = make_it_square(v_kl, [lmax, kmax])
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n_kl = make_it_square(n_kl, [lmax, kmax], int)
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n_kl = make_it_square(n_kl, [lmax, kmax], int)
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dz_kl = make_it_square(dz_kl, [lmax, kmax])
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dz_kl = make_it_square(dz_kl, [lmax, kmax])
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ezfio.pseudo_intergrals_v_kl = zip(*v_kl)
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ezfio.pseudo_integrals_v_kl = zip(*v_kl)
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ezfio.pseudo_intergrals_n_kl = zip(*n_kl)
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ezfio.pseudo_integrals_n_kl = zip(*n_kl)
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ezfio.pseudo_intergrals_dz_kl = zip(*dz_kl)
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ezfio.pseudo_integrals_dz_kl = zip(*dz_kl)
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ezfio.pseudo_intergrals_do_pseudo = True
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ezfio.pseudo_integrals_do_pseudo = True
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