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fix kpt range and remove printing in cisd
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2e2c403b16
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@ -587,17 +587,17 @@ subroutine H_apply_cisd_kpts()
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enddo
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if(.True.)then
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do kh1=1,kpt_num
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do kh2=1,kh1
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do kh2=1,kpt_num
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do kp1=1,kpt_num
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kp2=kconserv(kh1,kh2,kp1)
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print*,'kh1h2p1p1',kh1,kh2,kp1,kp2
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print*,'size_before: ',h_apply_buffer(iproc)%n_det
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!print*,'kh1h2p1p1',kh1,kh2,kp1,kp2
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!print*,'size_before: ',h_apply_buffer(iproc)%n_det
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call H_apply_cisd_kpts_diexc(psi_det_generators(1,1,i_generator), &
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psi_det_generators(1,1,1), &
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mask_kpts(1,1,d_hole1,kh1), mask_kpts(1,1,d_part1,kp1), &
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mask_kpts(1,1,d_hole2,kh2), mask_kpts(1,1,d_part2,kp2), &
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fock_diag_tmp, i_generator, iproc )
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print*,'size_after: ',h_apply_buffer(iproc)%n_det
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!print*,'size_after: ',h_apply_buffer(iproc)%n_det
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enddo
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enddo
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enddo
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