From 0195aaa1662cd1b61f102843f0446ebd8a66417e Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 24 May 2021 15:08:04 +0200 Subject: [PATCH] v1 --- src/det.irp.f | 41 +---------------------------------------- 1 file changed, 1 insertion(+), 40 deletions(-) diff --git a/src/det.irp.f b/src/det.irp.f index a7c0fca..825a88f 100644 --- a/src/det.irp.f +++ b/src/det.irp.f @@ -1513,46 +1513,7 @@ END_PROVIDER det_num4 = iand(det_num,not(3)) !DIR$ VECTOR ALIGNED - do k=1,det_num4,4 - i1 = det_coef_matrix_rows(k ) - i2 = det_coef_matrix_rows(k+1) - i3 = det_coef_matrix_rows(k+2) - i4 = det_coef_matrix_rows(k+3) - j1 = det_coef_matrix_columns(k ) - j2 = det_coef_matrix_columns(k+1) - j3 = det_coef_matrix_columns(k+2) - j4 = det_coef_matrix_columns(k+3) - if ( (j1 == j2).and.(j1 == j3).and.(j1 == j4) ) then - f = det_beta_value (j1) - CDb(i1) = CDb(i1) + det_coef_matrix_values(k )*f - CDb(i2) = CDb(i2) + det_coef_matrix_values(k+1)*f - CDb(i3) = CDb(i3) + det_coef_matrix_values(k+2)*f - CDb(i4) = CDb(i4) + det_coef_matrix_values(k+3)*f - - if ( ((i2-i1) == 1).and.((i3-i1) == 2).and.((i4-i1) == 3) ) then - DaC(j1) = DaC(j1) + det_coef_matrix_values(k)*det_alpha_value(i1) & - + det_coef_matrix_values(k+1)*det_alpha_value(i1+1) & - + det_coef_matrix_values(k+2)*det_alpha_value(i1+2) & - + det_coef_matrix_values(k+3)*det_alpha_value(i1+3) - else - DaC(j1) = DaC(j1) + det_coef_matrix_values(k)*det_alpha_value(i1) & - + det_coef_matrix_values(k+1)*det_alpha_value(i2) & - + det_coef_matrix_values(k+2)*det_alpha_value(i3) & - + det_coef_matrix_values(k+3)*det_alpha_value(i4) - endif - else - DaC(j1) = DaC(j1) + det_coef_matrix_values(k )*det_alpha_value(i1) - DaC(j2) = DaC(j2) + det_coef_matrix_values(k+1)*det_alpha_value(i2) - DaC(j3) = DaC(j3) + det_coef_matrix_values(k+2)*det_alpha_value(i3) - DaC(j4) = DaC(j4) + det_coef_matrix_values(k+3)*det_alpha_value(i4) - CDb(i1) = CDb(i1) + det_coef_matrix_values(k )*det_beta_value (j1) - CDb(i2) = CDb(i2) + det_coef_matrix_values(k+1)*det_beta_value (j2) - CDb(i3) = CDb(i3) + det_coef_matrix_values(k+2)*det_beta_value (j3) - CDb(i4) = CDb(i4) + det_coef_matrix_values(k+3)*det_beta_value (j4) - endif - enddo - - do k=det_num4+1,det_num + do k=1,det_num i = det_coef_matrix_rows(k) j = det_coef_matrix_columns(k) DaC(j) = DaC(j) + det_coef_matrix_values(k)*det_alpha_value(i)