From 7d9c068da09d8135c2e672f2de21b1ed20f4510d Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 22 Aug 2023 11:50:54 -0400 Subject: [PATCH] whitespace --- src/VORONOI/compute_voronoi_atom.cpp | 12 +++---- src/compute_reduce.cpp | 8 ++--- src/compute_reduce_region.cpp | 2 +- src/variable.cpp | 54 ++++++++++++++-------------- 4 files changed, 38 insertions(+), 38 deletions(-) diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp index eb4f53986f..b4f1aa3055 100644 --- a/src/VORONOI/compute_voronoi_atom.cpp +++ b/src/VORONOI/compute_voronoi_atom.cpp @@ -391,13 +391,13 @@ void ComputeVoronoi::checkOccupation() int i, j, k; double rx, ry, rz; - + int nlocal = atom->nlocal; int nall = atom->nghost + nlocal; double **x = atom->x; // prepare destination buffer for variable evaluation - + if (atom->nmax > lmax) { memory->destroy(lnext); lmax = atom->nmax; @@ -432,7 +432,7 @@ void ComputeVoronoi::checkOccupation() } // MPI sum occupation - + #ifdef NOTINPLACE memcpy(sendocc, occvec, oldnatoms*sizeof(*occvec)); MPI_Allreduce(sendocc, occvec, oldnatoms, MPI_INT, MPI_SUM, world); @@ -441,7 +441,7 @@ void ComputeVoronoi::checkOccupation() #endif // determine the total number of atoms in this atom's currently occupied cell - + int c; for (i=0; itag[i]; if (mytag > oldmaxtag) @@ -479,7 +479,7 @@ void ComputeVoronoi::checkOccupation() void ComputeVoronoi::loopCells() { // invoke voro++ and fetch results for owned atoms in group - + voronoicell_neighbor c; int i; if (faces_flag) nfaces = 0; diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp index 8565ddb1c9..24fdc4a991 100644 --- a/src/compute_reduce.cpp +++ b/src/compute_reduce.cpp @@ -40,7 +40,7 @@ enum{UNDECIDED,PERATOM,LOCAL}; // same as in ComputeReduceRegion void abs_max(void *in, void *inout, int * /*len*/, MPI_Datatype * /*type*/) { // r is the already reduced value, n is the new value - + double n = std::fabs(*(double *) in), r = *(double *) inout; double m; @@ -55,7 +55,7 @@ void abs_max(void *in, void *inout, int * /*len*/, MPI_Datatype * /*type*/) void abs_min(void *in, void *inout, int * /*len*/, MPI_Datatype * /*type*/) { // r is the already reduced value, n is the new value - + double n = std::fabs(*(double *) in), r = *(double *) inout; double m; @@ -270,7 +270,7 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) : error->all(FLERR, "Compute {} compute {} does not calculate a per-atom array", style, val.id); if (val.argindex && val.argindex > val.val.c->size_peratom_cols) error->all(FLERR, "Compute {} compute {} array is accessed out-of-range", style, val.id); - + } else if (input_mode == LOCAL) { if (!val.val.c->peratom_flag) error->all(FLERR, "Compute {} compute {} does not calculate local values", style, val.id); @@ -295,7 +295,7 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) : error->all(FLERR, "Compute {} fix {} does not calculate a per-atom array", style, val.id); if (val.argindex && (val.argindex > val.val.f->size_peratom_cols)) error->all(FLERR, "Compute {} fix {} array is accessed out-of-range", style, val.id); - + } else if (input_mode == LOCAL) { if (!val.val.f->local_flag) error->all(FLERR, "Compute {} fix {} does not calculate local values", style, val.id); diff --git a/src/compute_reduce_region.cpp b/src/compute_reduce_region.cpp index d0a32b8adf..15280af544 100644 --- a/src/compute_reduce_region.cpp +++ b/src/compute_reduce_region.cpp @@ -61,7 +61,7 @@ double ComputeReduceRegion::compute_one(int m, int flag) // initialization in case it has not yet been run, e.g. when // the compute was invoked right after it has been created - + if ((val.which == ArgInfo::COMPUTE) || (val.which == ArgInfo::FIX)) { if (val.val.c == nullptr) init(); } diff --git a/src/variable.cpp b/src/variable.cpp index f3c987f00c..264dcf6258 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -1502,7 +1502,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) // equal-style variable is being evaluated if (style[ivar] == EQUAL) { - + // c_ID = scalar from global scalar if (lowercase && nbracket == 0) { @@ -1588,7 +1588,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) // C_ID[i][j] = scalar element of per-atom array, note uppercase "C" } else if (!lowercase && nbracket == 2) { - + if (!compute->peratom_flag) print_var_error(FLERR,"Mismatched compute in variable formula",ivar); if (!compute->size_peratom_cols) @@ -1612,13 +1612,13 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) tree,treestack,ntreestack,argstack,nargstack); // no other possibilities for equal-style variable, so error - + } else print_var_error(FLERR,"Mismatched compute in variable formula",ivar); // vector-style variable is being evaluated } else if (style[ivar] == VECTOR) { - + // c_ID = vector from global vector if (lowercase && nbracket == 0) { @@ -1641,7 +1641,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) newtree->nvector = compute->size_vector; newtree->nstride = 1; treestack[ntreestack++] = newtree; - + // c_ID[i] = vector from global array } else if (lowercase && nbracket == 1) { @@ -1666,15 +1666,15 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) newtree->nvector = compute->size_array_rows; newtree->nstride = compute->size_array_cols; treestack[ntreestack++] = newtree; - + // no other possibilities for vector-style variable, so error - + } else print_var_error(FLERR,"Mismatched compute in variable formula",ivar); // atom-style variable is being evaluated } else if (style[ivar] == ATOM) { - + // c_ID = vector from per-atom vector if (lowercase && nbracket == 0) { @@ -1696,7 +1696,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) newtree->array = compute->vector_atom; newtree->nstride = 1; treestack[ntreestack++] = newtree; - + // c_ID[i] = vector from per-atom array } else if (lowercase && nbracket == 1) { @@ -1724,10 +1724,10 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) treestack[ntreestack++] = newtree; // no other possibilities for atom-style variable, so error - + } else print_var_error(FLERR,"Mismatched compute in variable formula",ivar); } - + // ---------------- // fix // ---------------- @@ -1770,7 +1770,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) // equal-style variable is being evaluated if (style[ivar] == EQUAL) { - + // f_ID = scalar from global scalar if (lowercase && nbracket == 0) { @@ -1826,14 +1826,14 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) if (update->whichflag > 0 && update->ntimestep % fix->peratom_freq) print_var_error(FLERR,"Fix in variable not computed at a compatible time",ivar); - + peratom2global(1,nullptr,fix->vector_atom,1,index1,tree, treestack,ntreestack,argstack,nargstack); // F_ID[i][j] = scalar element of per-atom array, note uppercase "F" } else if (!lowercase && nbracket == 2) { - + if (!fix->peratom_flag) print_var_error(FLERR,"Mismatched fix in variable formula",ivar); if (!fix->size_peratom_cols) @@ -1852,13 +1852,13 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) tree,treestack,ntreestack,argstack,nargstack); // no other possibilities for equal-style variable, so error - + } else print_var_error(FLERR,"Mismatched fix in variable formula",ivar); // vector-style variable is being evaluated } else if (style[ivar] == VECTOR) { - + // f_ID = vector from global vector if (lowercase && nbracket == 0) { @@ -1875,7 +1875,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) memory->create(vec,nvec,"variable:values"); for (int m = 0; m < nvec; m++) vec[m] = fix->compute_vector(m); - + auto newtree = new Tree(); newtree->type = VECTORARRAY; newtree->array = vec; @@ -1883,7 +1883,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) newtree->nstride = 1; newtree->selfalloc = 1; treestack[ntreestack++] = newtree; - + // f_ID[i] = vector from global array } else if (lowercase && nbracket == 1) { @@ -1910,15 +1910,15 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) newtree->nstride = 1; newtree->selfalloc = 1; treestack[ntreestack++] = newtree; - + // no other possibilities for vector-style variable, so error - + } else print_var_error(FLERR,"Mismatched fix in variable formula",ivar); // atom-style variable is being evaluated } else if (style[ivar] == ATOM) { - + // f_ID = vector from per-atom vector if (lowercase && nbracket == 0) { @@ -1935,7 +1935,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) newtree->array = fix->vector_atom; newtree->nstride = 1; treestack[ntreestack++] = newtree; - + // f_ID[i] = vector from per-atom array } else if (lowercase && nbracket == 1) { @@ -1958,7 +1958,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) treestack[ntreestack++] = newtree; // no other possibilities for atom-style variable, so error - + } else print_var_error(FLERR,"Mismatched fix in variable formula",ivar); } @@ -2053,21 +2053,21 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) print_var_error(FLERR,"Atom-style variable in equal-style variable formula",ivar); if (treetype == VECTOR) print_var_error(FLERR,"Atom-style variable in vector-style variable formula",ivar); - + Tree *newtree = nullptr; evaluate(data[ivar][0],&newtree,ivar); treestack[ntreestack++] = newtree; // vector from atomfile-style variable // point to the values in FixStore instance - + } else if (style[ivar] == ATOMFILE) { if (tree == nullptr) print_var_error(FLERR,"Atomfile-style variable in equal-style variable formula",ivar); if (treetype == VECTOR) print_var_error(FLERR,"Atomfile-style variable in vector-style variable formula",ivar); - + auto newtree = new Tree(); newtree->type = ATOMARRAY; newtree->array = reader[ivar]->fixstore->vstore; @@ -2121,7 +2121,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) tree,treestack,ntreestack,argstack,nargstack); // no other possibilities for variable with one bracket - + } else print_var_error(FLERR,"Mismatched variable in variable formula",ivar); }