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53 lines
959 B
Fortran
53 lines
959 B
Fortran
! ---
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BEGIN_PROVIDER [double precision, TCSCF_density_matrix_ao_beta, (ao_num, ao_num)]
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BEGIN_DOC
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!
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! TC-SCF transition density matrix on the AO basis for BETA electrons
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!
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END_DOC
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implicit none
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PROVIDE mo_l_coef mo_r_coef
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TCSCF_density_matrix_ao_beta = TCSCF_bi_ort_dm_ao_beta
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END_PROVIDER
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! ---
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BEGIN_PROVIDER [double precision, TCSCF_density_matrix_ao_alpha, (ao_num, ao_num)]
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BEGIN_DOC
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!
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! TC-SCF transition density matrix on the AO basis for ALPHA electrons
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!
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END_DOC
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implicit none
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PROVIDE mo_l_coef mo_r_coef
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TCSCF_density_matrix_ao_alpha = TCSCF_bi_ort_dm_ao_alpha
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END_PROVIDER
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! ---
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BEGIN_PROVIDER [double precision, TCSCF_density_matrix_ao_tot, (ao_num, ao_num)]
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BEGIN_DOC
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!
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! TC-SCF transition density matrix on the AO basis for ALPHA+BETA electrons
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!
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END_DOC
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implicit none
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TCSCF_density_matrix_ao_tot = TCSCF_density_matrix_ao_beta + TCSCF_density_matrix_ao_alpha
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END_PROVIDER
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