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Renamed qmckl_invert to qmckl_adjoint. #41

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v1j4y 2021-10-29 08:45:23 +02:00
parent 20b8f2822e
commit b5c6e1d126
1 changed files with 2 additions and 2 deletions
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@ -1817,7 +1817,7 @@ integer function qmckl_compute_det_inv_matrix_alpha_f(context, &
do iwalk = 1, walk_num
! Value
matA(1:alpha_num,1:alpha_num) = det_vgl_alpha(1:alpha_num, 1:alpha_num, 1, iwalk, idet)
res = qmckl_invert(context, alpha_num, alpha_num, LDA, matA, det_l)
res = qmckl_adjoint(context, alpha_num, alpha_num, LDA, matA, det_l)
det_adj_matrix_alpha(1:alpha_num, 1:alpha_num, iwalk, idet) = matA
det_inv_matrix_alpha(1:alpha_num, 1:alpha_num, iwalk, idet) = matA/det_l
det_value_alpha(iwalk, idet) = det_l
@ -1948,7 +1948,7 @@ integer function qmckl_compute_det_inv_matrix_beta_f(context, &
do iwalk = 1, walk_num
! Value
matA(1:beta_num,1:beta_num) = det_vgl_beta(1:beta_num, 1:beta_num, 1, iwalk, idet)
res = qmckl_invert(context, beta_num, beta_num, LDA, matA, det_l)
res = qmckl_adjoint(context, beta_num, beta_num, LDA, matA, det_l)
det_adj_matrix_beta(1:beta_num, 1:beta_num, iwalk, idet) = matA
det_inv_matrix_beta(1:beta_num, 1:beta_num, iwalk, idet) = matA/det_l
det_value_beta(iwalk, idet) = det_l