Mods

platforms/brook/src/gpu/kshakeh.br

@@ -62,6 +62,7 @@ kshakeh_fix1(
 		out float3 cposq2<>, //ditto for h2
 		out float3 cposq3<> //ditto for h3
 		) {
+
 	float2 ai, aj1, aj2, aj3; //2d indices, can be precalc.
 	float i; //iteration count
 	float3 xi, xj1, xj2, xj3; //coordinates
@@ -209,7 +210,6 @@ kernel void kshakeh_update1_fix1(
    atom.y  = round( (invmap.x - fmod( invmap.x, strwidth ))/strwidth );
 	atom.x  = invmap.x - atom.y * strwidth;
 	
-//	oposq = posq;
 	if( invmap.y < 0 ){
 		oposq  = posqp;
 	} else if( invmap.y < 0.5f ){

platforms/brook/src/gpu/kupdatesd.br

@@ -129,9 +129,9 @@ kernel void kupdate_sd1_fix1(
 	igauss.x       = linind_gauss - igauss.y * gstrwidth;
 	fg2            = fgauss[ igauss ];
 
-	Vmh            = sd2X * pc3 + sdpc.x * fg1;
-	sd1V           = sdpc.y * fg2;
-	vnew           = v * cem + invmass * f * pc1 + sd1V - Vmh * cem;
+	Vmh            = (sd2X*pc3) + (sdpc.x*fg1);
+	sd1V           = sdpc.y*fg2;
+	vnew           = (v*cem) + (invmass*f*pc1) + sd1V - (Vmh*cem);
 	posqp          = vnew * pc2;
 }