2020-02-03 20:58:08 +01:00
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program print_ao_1e_integrals
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call run
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end
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subroutine run
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use map_module
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implicit none
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integer :: i,j
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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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2020-03-12 22:06:31 +01:00
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write(*,'(A)') 'ao_kinetic_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_kinetic_integrals_complex(i,:)
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enddo
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write(*,'(A)') 'ao_ne_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_integrals_n_e_complex(i,:)
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enddo
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2020-02-03 20:58:08 +01:00
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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)') 's_inv_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') s_inv_complex(i,:)
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enddo
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write(*,'(A)') 's_half_inv_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') s_half_inv_complex(i,:)
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enddo
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write(*,'(A)') 's_half_complex'
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write(*,'(A)') '---------------'
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do i=1,ao_num
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write(*,'(200(E24.15))') s_half_complex(i,:)
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enddo
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write(*,'(A)') 'ao_ortho_canonical_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))') ao_ortho_canonical_coef_complex(i,:)
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enddo
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end
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