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fixed bug in TC-VAR
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@ -38,15 +38,16 @@ subroutine write_tc_var()
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implicit none
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implicit none
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integer :: i, j, k
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integer :: i, j, k
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double precision :: hmono, htwoe, hthree, htot
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double precision :: hmono, htwoe, hthree, htot_1j, htot_j1
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double precision :: SIGMA_TC
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double precision :: SIGMA_TC
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do k = 1, n_states
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do k = 1, n_states
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SIGMA_TC = 0.d0
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SIGMA_TC = 0.d0
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do j = 2, N_det
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do j = 2, N_det
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call htilde_mu_mat_bi_ortho(psi_det(1,1,1), psi_det(1,1,j), N_int, hmono, htwoe, hthree, htot)
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call htilde_mu_mat_bi_ortho(psi_det(1,1,1), psi_det(1,1,j), N_int, hmono, htwoe, hthree, htot_1j)
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SIGMA_TC = SIGMA_TC + htot * htot
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call htilde_mu_mat_bi_ortho(psi_det(1,1,j), psi_det(1,1,1), N_int, hmono, htwoe, hthree, htot_j1)
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SIGMA_TC = SIGMA_TC + htot_1j * htot_j1
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enddo
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enddo
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print *, " state : ", k
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print *, " state : ", k
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