From a94f446dd06d80297dc7992711a89687b834c64f Mon Sep 17 00:00:00 2001 From: v1j4y Date: Mon, 25 Oct 2021 19:12:48 +0200 Subject: [PATCH] Removed debug print. #41 --- org/qmckl_local_energy.org | 11 ----------- 1 file changed, 11 deletions(-) diff --git a/org/qmckl_local_energy.org b/org/qmckl_local_energy.org index b3e24a5..d4d2cee 100644 --- a/org/qmckl_local_energy.org +++ b/org/qmckl_local_energy.org @@ -412,16 +412,6 @@ integer function qmckl_compute_kinetic_energy_f(context, walk_num, & return endif - print *,"Size of mo_vgl=",size(mo_vgl) - print *,"Size of mo_index_alpha=",size(mo_index_alpha) - print *,"Size of mo_index_beta=",size(mo_index_beta) - print *,"Size of det_adj_matrix_alpha=",size(det_adj_matrix_alpha) - print *,"Size of det_adj_matrix_beta=",size(det_adj_matrix_beta) - print *,"num_alpha = ",alpha_num - print *,"num_beta = ",beta_num - print *,"det_num_alpha = ",det_num_alpha - print *,"det_num_beta = ",det_num_beta - print *,"walk_num = ",walk_num e_kin = 0.0d0 do idet = 1, det_num_alpha do iwalk = 1, walk_num @@ -437,7 +427,6 @@ integer function qmckl_compute_kinetic_energy_f(context, walk_num, & do imo = 1, beta_num do ielec = 1, beta_num mo_id = mo_index_beta(ielec, iwalk, idet) - print *,mo_id, imo, ielec, iwalk, idet e_kin(iwalk) = e_kin(iwalk) - 0.5d0 * det_adj_matrix_beta(imo, ielec, iwalk, idet) ! mo_vgl(mo_id, ielec, 5) end do