C++ conversion for PME spread/gather

[alexxy/gromacs.git] / src / gromacs / ewald / pme-gather.cpp

diff --git a/src/gromacs/ewald/pme-gather.c b/src/gromacs/ewald/pme-gather.cpp
similarity index 93%
rename from src/gromacs/ewald/pme-gather.c
rename to src/gromacs/ewald/pme-gather.cpp
index c28b8b50ff05753a6f65a54ee48bb5ad0580b27a..2e2a12ff67170e4756aa6e59e32f525e12a278ca 100644 (file)
--- a/src/gromacs/ewald/pme-gather.c
+++ b/src/gromacs/ewald/pme-gather.cpp
@@ -80,7 +80,7 @@ void gather_f_bsplines(struct gmx_pme_t *pme, real *grid,
     /* sum forces for local particles */
     int                     nn, n, ithx, ithy, ithz, i0, j0, k0;
     int                     index_x, index_xy;
-    int                     nx, ny, nz, pnx, pny, pnz;
+    int                     nx, ny, nz, pny, pnz;
     int                 *   idxptr;
     real                    tx, ty, dx, dy, coefficient;
     real                    fx, fy, fz, gval;
@@ -90,29 +90,22 @@ void gather_f_bsplines(struct gmx_pme_t *pme, real *grid,
     real                    rxx, ryx, ryy, rzx, rzy, rzz;
     int                     order;
 
-    struct pme_spline_work *work;
-
-#if defined PME_SIMD4_SPREAD_GATHER && !defined PME_SIMD4_UNALIGNED
-    real           thz_buffer[GMX_SIMD4_WIDTH*3],  *thz_aligned;
-    real           dthz_buffer[GMX_SIMD4_WIDTH*3], *dthz_aligned;
+#ifdef PME_SIMD4_SPREAD_GATHER
+    // cppcheck-suppress unreadVariable cppcheck seems not to analyze code from pme-simd4.h
+    struct pme_spline_work *work = pme->spline_work;
+#ifndef PME_SIMD4_UNALIGNED
+    real                    thz_buffer[GMX_SIMD4_WIDTH*3],  *thz_aligned;
+    real                    dthz_buffer[GMX_SIMD4_WIDTH*3], *dthz_aligned;
 
     thz_aligned  = gmx_simd4_align_r(thz_buffer);
     dthz_aligned = gmx_simd4_align_r(dthz_buffer);
 #endif
-
-    work = pme->spline_work;
+#endif
 
     order = pme->pme_order;
-    thx   = spline->theta[XX];
-    thy   = spline->theta[YY];
-    thz   = spline->theta[ZZ];
-    dthx  = spline->dtheta[XX];
-    dthy  = spline->dtheta[YY];
-    dthz  = spline->dtheta[ZZ];
     nx    = pme->nkx;
     ny    = pme->nky;
     nz    = pme->nkz;
-    pnx   = pme->pmegrid_nx;
     pny   = pme->pmegrid_ny;
     pnz   = pme->pmegrid_nz;