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@ -23,16 +23,11 @@ mo_basis
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scf
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scf
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finish complex DIIS
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finish complex DIIS
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finish ao_two_e_integral_{alpha,beta}_complex (need reverse index?)
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finish ao_two_e_integral_{alpha,beta}_complex (need reverse index?)
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finish extrapolate_Fock_matrix_complex
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finish eigenvectors_Fock_matrix_AO_complex
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finish eigenvectors_Fock_matrix_AO_complex
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mo_two_e_ints
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mo_two_e_ints
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not started
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not started
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done:
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mo_one_e_ints
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make separate providers for real/imag/complex parts for periodic
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@ -341,9 +336,6 @@ src/scf_utils/roothaan_hall_scf_complex.irp.f
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subroutine Roothaan_Hall_SCF_complex
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subroutine Roothaan_Hall_SCF_complex
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similar to real
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similar to real
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has soft_touch mo_coef_complex and call to save_mos (see other notes on real/imag parts)
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has soft_touch mo_coef_complex and call to save_mos (see other notes on real/imag parts)
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subroutine extrapolate_Fock_matrix_complex
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TODO: check variable types?
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complex scratch is being used in dsysvx, should be real
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src/scf_utils/scf_density_matrix_ao_complex.irp.f
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src/scf_utils/scf_density_matrix_ao_complex.irp.f
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complex versions of providers
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complex versions of providers
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