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55 lines
1.6 KiB
Fortran
55 lines
1.6 KiB
Fortran
subroutine print_debug_scf_complex
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implicit none
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BEGIN_DOC
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! Build the MOs using the extended Huckel model
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END_DOC
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integer :: i,j
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write(*,'(A)') 'mo_coef_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') mo_coef_complex(i,:)
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enddo
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write(*,'(A)') 'scf_density_matrix_ao_alpha_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') scf_density_matrix_ao_alpha_complex(i,:)
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enddo
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write(*,'(A)') 'ao_one_e_integrals_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') ao_one_e_integrals_complex(i,:)
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enddo
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write(*,'(A)') 'ao_two_e_integral_alpha_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') ao_two_e_integral_alpha_complex(i,:)
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enddo
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write(*,'(A)') 'fock_matrix_ao_alpha_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') fock_matrix_ao_alpha_complex(i,:)
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enddo
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write(*,'(A)') 'ao_overlap_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') ao_overlap_complex(i,:)
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enddo
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write(*,'(A)') 'scf_density_matrix_ao_beta_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') scf_density_matrix_ao_beta_complex(i,:)
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enddo
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write(*,'(A)') 'ao_two_e_integral_beta_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') ao_two_e_integral_beta_complex(i,:)
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enddo
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write(*,'(A)') 'fock_matrix_ao_beta_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') fock_matrix_ao_beta_complex(i,:)
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enddo
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end
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