From 49f27573a7b1e2efade8be7ef7a7d9c101ab7c5c Mon Sep 17 00:00:00 2001 From: Trung Nguyen Date: Wed, 3 Jul 2019 23:44:33 -0500 Subject: [PATCH] Fixed a bug in lj96 involving missing the special_lj factor --- lib/gpu/lal_lj96.cu | 1 + 1 file changed, 1 insertion(+) diff --git a/lib/gpu/lal_lj96.cu b/lib/gpu/lal_lj96.cu index 3bb7750022..8dd63ef920 100644 --- a/lib/gpu/lal_lj96.cu +++ b/lib/gpu/lal_lj96.cu @@ -174,6 +174,7 @@ __kernel void k_lj96_fast(const __global numtyp4 *restrict x_, numtyp r6inv = r2inv*r2inv*r2inv; numtyp r3inv = ucl_sqrt(r6inv); numtyp force = r2inv*r6inv*(lj1[mtype].x*r3inv-lj1[mtype].y); + force*=factor_lj; f.x+=delx*force; f.y+=dely*force;