diff --git a/src/nstencil.cpp b/src/nstencil.cpp index 42ddbaff30..f6281a1964 100644 --- a/src/nstencil.cpp +++ b/src/nstencil.cpp @@ -79,9 +79,9 @@ NStencil::NStencil(LAMMPS *lmp) : Pointers(lmp) stencil_multi = nullptr; maxstencil_multi = nullptr; - stencil_half = nullptr; - stencil_skip = nullptr; - stencil_bin_type = nullptr; + flag_half_multi = nullptr; + flag_skip_multi = nullptr; + bin_type_multi = nullptr; dimension = domain->dimension; } @@ -111,16 +111,16 @@ NStencil::~NStencil() memory->destroy(nstencil_multi); for (int i = 1; i <= n; i++) { for (int j = 0; j <= n; j++) { - if (! stencil_skip[i][j]) + if (! flag_skip_multi[i][j]) memory->destroy(stencil_multi[i][j]); } delete [] stencil_multi[i]; } delete [] stencil_multi; memory->destroy(maxstencil_multi); - memory->destroy(stencil_half); - memory->destroy(stencil_skip); - memory->destroy(stencil_bin_type); + memory->destroy(flag_half_multi); + memory->destroy(flag_skip_multi); + memory->destroy(bin_type_multi); memory->destroy(stencil_sx_multi); memory->destroy(stencil_sy_multi); @@ -272,12 +272,12 @@ void NStencil::create_setup() if(nb) copy_bin_info_multi(); // Allocate arrays to store stencil information - memory->create(stencil_half, n+1, n+1, - "neighstencil:stencil_half"); - memory->create(stencil_skip, n+1, n+1, - "neighstencil:stencil_skip"); - memory->create(stencil_bin_type, n+1, n+1, - "neighstencil:stencil_bin_type"); + memory->create(flag_half_multi, n+1, n+1, + "neighstencil:flag_half_multi"); + memory->create(flag_skip_multi, n+1, n+1, + "neighstencil:flag_skip_multi"); + memory->create(bin_type_multi, n+1, n+1, + "neighstencil:bin_type_multi"); memory->create(stencil_sx_multi, n+1, n+1, "neighstencil:stencil_sx_multi"); @@ -303,7 +303,7 @@ void NStencil::create_setup() // Skip all stencils by default, initialize smax for (i = 1; i <= n; i++) { for (j = 1; j <= n; j++) { - stencil_skip[i][j] = 1; + flag_skip_multi[i][j] = 1; } } @@ -329,10 +329,10 @@ void NStencil::create_setup() for (j = 1; j <= n; j++) { // Skip creation of unused stencils - if (stencil_skip[i][j]) continue; + if (flag_skip_multi[i][j]) continue; - // Copy bin info for this particular pair of types - bin_type = stencil_bin_type[i][j]; + // Copy bin info for this pair of atom types + bin_type = bin_type_multi[i][j]; stencil_binsizex_multi[i][j] = binsizex_multi[bin_type]; stencil_binsizey_multi[i][j] = binsizey_multi[bin_type]; diff --git a/src/nstencil.h b/src/nstencil.h index 5bff8cbfac..9ca8bab55d 100644 --- a/src/nstencil.h +++ b/src/nstencil.h @@ -42,9 +42,9 @@ class NStencil : protected Pointers { double cutoff_custom; // cutoff set by requestor // Arrays to store options for multi itype-jtype stencils - bool **stencil_half; // flag creation of a half stencil for itype-jtype - bool **stencil_skip; // skip creation of itype-jtype stencils (for newton on) - int **stencil_bin_type; // what type to use for bin information + bool **flag_half_multi; // flag creation of a half stencil for itype-jtype + bool **flag_skip_multi; // skip creation of itype-jtype stencils (for newton on) + int **bin_type_multi; // what type to use for bin information NStencil(class LAMMPS *); virtual ~NStencil(); diff --git a/src/nstencil_full_multi_2d.cpp b/src/nstencil_full_multi_2d.cpp index 9712db7ac8..61557f2d00 100644 --- a/src/nstencil_full_multi_2d.cpp +++ b/src/nstencil_full_multi_2d.cpp @@ -36,9 +36,9 @@ void NStencilFullMulti2d::set_stencil_properties() for (i = 1; i <= n; i++) { for (j = 1; j <= n; j++) { - stencil_half[i][j] = 0; - stencil_skip[i][j] = 0; - stencil_bin_type[i][j] = j; + flag_half_multi[i][j] = 0; + flag_skip_multi[i][j] = 0; + bin_type_multi[i][j] = j; } } } @@ -56,7 +56,7 @@ void NStencilFullMulti2d::create() for (itype = 1; itype <= n; itype++) { for (jtype = 1; jtype <= n; jtype++) { - if (stencil_skip[itype][jtype]) continue; + if (flag_skip_multi[itype][jtype]) continue; ns = 0; @@ -66,7 +66,7 @@ void NStencilFullMulti2d::create() mbinx = stencil_mbinx_multi[itype][jtype]; mbiny = stencil_mbiny_multi[itype][jtype]; - bin_type = stencil_bin_type[itype][jtype]; + bin_type = bin_type_multi[itype][jtype]; cutsq = cutneighsq[itype][jtype]; diff --git a/src/nstencil_full_multi_3d.cpp b/src/nstencil_full_multi_3d.cpp index b3f8db53b7..f4935b70e0 100644 --- a/src/nstencil_full_multi_3d.cpp +++ b/src/nstencil_full_multi_3d.cpp @@ -37,9 +37,9 @@ void NStencilFullMulti3d::set_stencil_properties() for (i = 1; i <= n; i++) { for (j = 1; j <= n; j++) { - stencil_half[i][j] = 0; - stencil_skip[i][j] = 0; - stencil_bin_type[i][j] = j; + flag_half_multi[i][j] = 0; + flag_skip_multi[i][j] = 0; + bin_type_multi[i][j] = j; } } } @@ -57,7 +57,7 @@ void NStencilFullMulti3d::create() for (itype = 1; itype <= n; itype++) { for (jtype = 1; jtype <= n; jtype++) { - if (stencil_skip[itype][jtype]) continue; + if (flag_skip_multi[itype][jtype]) continue; ns = 0; @@ -69,7 +69,7 @@ void NStencilFullMulti3d::create() mbiny = stencil_mbiny_multi[itype][jtype]; mbinz = stencil_mbinz_multi[itype][jtype]; - bin_type = stencil_bin_type[itype][jtype]; + bin_type = bin_type_multi[itype][jtype]; cutsq = cutneighsq[itype][jtype]; diff --git a/src/nstencil_half_multi_2d.cpp b/src/nstencil_half_multi_2d.cpp index 0b320394b7..b407746602 100644 --- a/src/nstencil_half_multi_2d.cpp +++ b/src/nstencil_half_multi_2d.cpp @@ -42,14 +42,14 @@ void NStencilHalfMulti2d::set_stencil_properties() for (j = 1; j <= n; j++) { if(cutneighsq[i][i] > cutneighsq[j][j]) continue; - stencil_skip[i][j] = 0; + flag_skip_multi[i][j] = 0; if(cutneighsq[i][i] == cutneighsq[j][j]){ - stencil_half[i][j] = 1; - stencil_bin_type[i][j] = i; + flag_half_multi[i][j] = 1; + bin_type_multi[i][j] = i; } else { - stencil_half[i][j] = 0; - stencil_bin_type[i][j] = j; + flag_half_multi[i][j] = 0; + bin_type_multi[i][j] = j; } } } @@ -68,7 +68,7 @@ void NStencilHalfMulti2d::create() for (itype = 1; itype <= n; itype++) { for (jtype = 1; jtype <= n; jtype++) { - if (stencil_skip[itype][jtype]) continue; + if (flag_skip_multi[itype][jtype]) continue; ns = 0; @@ -78,11 +78,11 @@ void NStencilHalfMulti2d::create() mbinx = stencil_mbinx_multi[itype][jtype]; mbiny = stencil_mbiny_multi[itype][jtype]; - bin_type = stencil_bin_type[itype][jtype]; + bin_type = bin_type_multi[itype][jtype]; cutsq = cutneighsq[itype][jtype]; - if (stencil_half[itype][jtype]) { + if (flag_half_multi[itype][jtype]) { for (j = 0; j <= sy; j++) for (i = -sx; i <= sx; i++) if (j > 0 || (j == 0 && i > 0)) { diff --git a/src/nstencil_half_multi_2d_tri.cpp b/src/nstencil_half_multi_2d_tri.cpp index 95b0b483c5..cd9f85da60 100755 --- a/src/nstencil_half_multi_2d_tri.cpp +++ b/src/nstencil_half_multi_2d_tri.cpp @@ -42,14 +42,14 @@ void NStencilHalfMulti2dTri::set_stencil_properties() for (j = 1; j <= n; j++) { if(cutneighsq[i][i] > cutneighsq[j][j]) continue; - stencil_skip[i][j] = 0; + flag_skip_multi[i][j] = 0; if(cutneighsq[i][i] == cutneighsq[j][j]){ - stencil_half[i][j] = 1; - stencil_bin_type[i][j] = i; + flag_half_multi[i][j] = 1; + bin_type_multi[i][j] = i; } else { - stencil_half[i][j] = 0; - stencil_bin_type[i][j] = j; + flag_half_multi[i][j] = 0; + bin_type_multi[i][j] = j; } } } @@ -68,7 +68,7 @@ void NStencilHalfMulti2dTri::create() for (itype = 1; itype <= n; itype++) { for (jtype = 1; jtype <= n; jtype++) { - if (stencil_skip[itype][jtype]) continue; + if (flag_skip_multi[itype][jtype]) continue; ns = 0; @@ -78,11 +78,11 @@ void NStencilHalfMulti2dTri::create() mbinx = stencil_mbinx_multi[itype][jtype]; mbiny = stencil_mbiny_multi[itype][jtype]; - bin_type = stencil_bin_type[itype][jtype]; + bin_type = bin_type_multi[itype][jtype]; cutsq = cutneighsq[itype][jtype]; - if (stencil_half[itype][jtype]) { + if (flag_half_multi[itype][jtype]) { for (j = 0; j <= sy; j++) for (i = -sx; i <= sx; i++) if (bin_distance_multi(i,j,0,bin_type) < cutsq) diff --git a/src/nstencil_half_multi_3d.cpp b/src/nstencil_half_multi_3d.cpp index 1f94fb16cd..d66cfe98b9 100644 --- a/src/nstencil_half_multi_3d.cpp +++ b/src/nstencil_half_multi_3d.cpp @@ -42,14 +42,14 @@ void NStencilHalfMulti3d::set_stencil_properties() for (j = 1; j <= n; j++) { if(cutneighsq[i][i] > cutneighsq[j][j]) continue; - stencil_skip[i][j] = 0; + flag_skip_multi[i][j] = 0; if(cutneighsq[i][i] == cutneighsq[j][j]){ - stencil_half[i][j] = 1; - stencil_bin_type[i][j] = i; + flag_half_multi[i][j] = 1; + bin_type_multi[i][j] = i; } else { - stencil_half[i][j] = 0; - stencil_bin_type[i][j] = j; + flag_half_multi[i][j] = 0; + bin_type_multi[i][j] = j; } } } @@ -68,7 +68,7 @@ void NStencilHalfMulti3d::create() for (itype = 1; itype <= n; itype++) { for (jtype = 1; jtype <= n; jtype++) { - if (stencil_skip[itype][jtype]) continue; + if (flag_skip_multi[itype][jtype]) continue; ns = 0; @@ -80,11 +80,11 @@ void NStencilHalfMulti3d::create() mbiny = stencil_mbiny_multi[itype][jtype]; mbinz = stencil_mbinz_multi[itype][jtype]; - bin_type = stencil_bin_type[itype][jtype]; + bin_type = bin_type_multi[itype][jtype]; cutsq = cutneighsq[itype][jtype]; - if (stencil_half[itype][jtype]) { + if (flag_half_multi[itype][jtype]) { for (k = 0; k <= sz; k++) for (j = -sy; j <= sy; j++) for (i = -sx; i <= sx; i++) diff --git a/src/nstencil_half_multi_3d_tri.cpp b/src/nstencil_half_multi_3d_tri.cpp index 30e59e92e8..e4a5747ca6 100755 --- a/src/nstencil_half_multi_3d_tri.cpp +++ b/src/nstencil_half_multi_3d_tri.cpp @@ -42,14 +42,14 @@ void NStencilHalfMulti3dTri::set_stencil_properties() for (j = 1; j <= n; j++) { if(cutneighsq[i][i] > cutneighsq[j][j]) continue; - stencil_skip[i][j] = 0; + flag_skip_multi[i][j] = 0; if(cutneighsq[i][i] == cutneighsq[j][j]){ - stencil_half[i][j] = 1; - stencil_bin_type[i][j] = i; + flag_half_multi[i][j] = 1; + bin_type_multi[i][j] = i; } else { - stencil_half[i][j] = 0; - stencil_bin_type[i][j] = j; + flag_half_multi[i][j] = 0; + bin_type_multi[i][j] = j; } } } @@ -68,7 +68,7 @@ void NStencilHalfMulti3dTri::create() for (itype = 1; itype <= n; itype++) { for (jtype = 1; jtype <= n; jtype++) { - if (stencil_skip[itype][jtype]) continue; + if (flag_skip_multi[itype][jtype]) continue; ns = 0; @@ -80,11 +80,11 @@ void NStencilHalfMulti3dTri::create() mbiny = stencil_mbiny_multi[itype][jtype]; mbinz = stencil_mbinz_multi[itype][jtype]; - bin_type = stencil_bin_type[itype][jtype]; + bin_type = bin_type_multi[itype][jtype]; cutsq = cutneighsq[itype][jtype]; - if (stencil_half[itype][jtype]) { + if (flag_half_multi[itype][jtype]) { for (k = 0; k <= sz; k++) for (j = -sy; j <= sy; j++) for (i = -sx; i <= sx; i++)