Fix clang-tidy v10 warnigns in OpenCL kernels

[alexxy/gromacs.git] / src / gromacs / nbnxm / opencl / nbnxm_ocl_kernel.clh

diff --git a/src/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh b/src/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh
index b238843a91efe632b73285eca77573db6689c97e..60242b0ba87fb3fb6e494d67d37eb6f62ba9f119 100644 (file)
--- a/src/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh
+++ b/src/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh
@@ -415,19 +415,18 @@ __kernel void NB_KERNEL_FUNC_NAME(nbnxn_kernel, _F_opencl)
                                 const float c12    = ljcp_i.y * ljcp_j.y;
 #    else
                                 /* LJ 2^(1/6)*sigma and 12*epsilon */
-                                const float sigma   = ljcp_i.x + ljcp_j.x;
-                                const float epsilon = ljcp_i.y * ljcp_j.y;
+                                const float  sigma   = ljcp_i.x + ljcp_j.x;
+                                const float  epsilon = ljcp_i.y * ljcp_j.y;
 #        if defined CALC_ENERGIES || defined LJ_FORCE_SWITCH || defined LJ_POT_SWITCH
-                                float       c6, c12;
-                                convert_sigma_epsilon_to_c6_c12(sigma, epsilon, &c6, &c12);
+                                const float2 c6c12 = convert_sigma_epsilon_to_c6_c12(sigma, epsilon);
+                                const float  c6    = c6c12.x;
+                                const float  c12   = c6c12.y;
 #        endif
 #    endif /* LJ_COMB_GEOM */
 #endif     /* LJ_COMB */
 
                                 // Ensure distance do not become so small that r^-12 overflows.
-                                // Cast to float to ensure the correct built-in max() function
-                                // is called.
-                                r2 = max(r2, (float)c_nbnxnMinDistanceSquared);
+                                r2 = max(r2, c_nbnxnMinDistanceSquared);
 
                                 const float inv_r  = rsqrt(r2);
                                 const float inv_r2 = inv_r * inv_r;