Commit 49f27573 authored by Trung Nguyen's avatar Trung Nguyen
Browse files

Fixed a bug in lj96 involving missing the special_lj factor

parent b727f0b1

lib/gpu/lal_lj96.cu

+1 −0
Original line number Diff line number Diff line
@@ -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;

CRA Git | Maintained and supported by SUSTech CRA and CCSE