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[alexxy/gromacs.git] / src / gromacs / pbcutil / pbc_simd.cpp

diff --git a/src/gromacs/pbcutil/pbc_simd.cpp b/src/gromacs/pbcutil/pbc_simd.cpp
index 92700e830ff72681439ab80f475fd3ce3213c596..d27661821c31bef364b3c831389a7df423b6a365 100644 (file)
--- a/src/gromacs/pbcutil/pbc_simd.cpp
+++ b/src/gromacs/pbcutil/pbc_simd.cpp
@@ -50,35 +50,34 @@
 
 using namespace gmx; // TODO: Remove when this file is moved into gmx namespace
 
-void set_pbc_simd(const t_pbc gmx_unused *pbc,
-                  real gmx_unused        *pbc_simd)
+void set_pbc_simd(const t_pbc gmx_unused* pbc, real gmx_unused* pbc_simd)
 {
 #if GMX_SIMD_HAVE_REAL
     if (pbc != nullptr && pbc->ePBC != epbcNONE)
     {
-        rvec inv_box_diag = {0, 0, 0};
+        rvec inv_box_diag = { 0, 0, 0 };
 
         for (int d = 0; d < pbc->ndim_ePBC; d++)
         {
-            inv_box_diag[d] = 1.0/pbc->box[d][d];
+            inv_box_diag[d] = 1.0 / pbc->box[d][d];
         }
 
-        store(pbc_simd + 0*GMX_SIMD_REAL_WIDTH, SimdReal(inv_box_diag[ZZ]));
-        store(pbc_simd + 1*GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[ZZ][XX]));
-        store(pbc_simd + 2*GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[ZZ][YY]));
-        store(pbc_simd + 3*GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[ZZ][ZZ]));
-        store(pbc_simd + 4*GMX_SIMD_REAL_WIDTH, SimdReal(inv_box_diag[YY]));
-        store(pbc_simd + 5*GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[YY][XX]));
-        store(pbc_simd + 6*GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[YY][YY]));
-        store(pbc_simd + 7*GMX_SIMD_REAL_WIDTH, SimdReal(inv_box_diag[XX]));
-        store(pbc_simd + 8*GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[XX][XX]));
+        store(pbc_simd + 0 * GMX_SIMD_REAL_WIDTH, SimdReal(inv_box_diag[ZZ]));
+        store(pbc_simd + 1 * GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[ZZ][XX]));
+        store(pbc_simd + 2 * GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[ZZ][YY]));
+        store(pbc_simd + 3 * GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[ZZ][ZZ]));
+        store(pbc_simd + 4 * GMX_SIMD_REAL_WIDTH, SimdReal(inv_box_diag[YY]));
+        store(pbc_simd + 5 * GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[YY][XX]));
+        store(pbc_simd + 6 * GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[YY][YY]));
+        store(pbc_simd + 7 * GMX_SIMD_REAL_WIDTH, SimdReal(inv_box_diag[XX]));
+        store(pbc_simd + 8 * GMX_SIMD_REAL_WIDTH, SimdReal(pbc->box[XX][XX]));
     }
     else
     {
         /* Setting inv_box_diag to zero leads to no PBC being applied */
-        for (int i = 0; i < (DIM + DIM*(DIM+1)/2); i++)
+        for (int i = 0; i < (DIM + DIM * (DIM + 1) / 2); i++)
         {
-            store(pbc_simd + i*GMX_SIMD_REAL_WIDTH, SimdReal(0));
+            store(pbc_simd + i * GMX_SIMD_REAL_WIDTH, SimdReal(0));
         }
     }
 #endif