From c7599febfb1e35987fc67dc174d7d4845d296557 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 17 Oct 2023 00:28:47 +0200 Subject: [PATCH] Fix bug in Jastrow --- src/non_h_ints_mu/jast_deriv.irp.f | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/src/non_h_ints_mu/jast_deriv.irp.f b/src/non_h_ints_mu/jast_deriv.irp.f index 4137c51c..19b900da 100644 --- a/src/non_h_ints_mu/jast_deriv.irp.f +++ b/src/non_h_ints_mu/jast_deriv.irp.f @@ -138,7 +138,7 @@ allocate( gl(2,4,n_points) ) do ipoint_block = 1, n_points_final_grid, 100 ! r1 - ipoint_end = min(n_points_final_grid, ipoint_block+100) + ipoint_end = min(n_points_final_grid, ipoint_block+99) k=0 do ipoint = ipoint_block, ipoint_end @@ -223,8 +223,6 @@ enddo !ipoint_block - - deallocate(gl, rij) else