SCF
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@ -14,6 +14,8 @@ END_DOC
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integer :: i,j
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integer :: i,j
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double precision, allocatable :: mo_coef_save(:,:)
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double precision, allocatable :: mo_coef_save(:,:)
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PROVIDE ao_md5 mo_occ level_shift
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allocate(mo_coef_save(ao_num,mo_tot_num), &
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allocate(mo_coef_save(ao_num,mo_tot_num), &
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Fock_matrix_DIIS (ao_num,ao_num,max_dim_DIIS), &
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Fock_matrix_DIIS (ao_num,ao_num,max_dim_DIIS), &
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