Fixed a bug in lj96 involving missing the special_lj factor

2019-07-03 23:44:33 -05:00
parent b727f0b126
commit 49f27573a7
1 changed files with 1 additions and 0 deletions
--- 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;