From e08c4abb4b3bfa5534b40d03ea0e97376be8f56e Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 18 Aug 2021 13:06:00 -0400 Subject: [PATCH] whitespace fixes --- doc/src/compute_property_atom.rst | 2 +- src/KOKKOS/atom_kokkos.cpp | 12 +++---- src/VTK/dump_vtk.cpp | 6 ++-- src/atom.cpp | 24 +++++++------- src/compute_property_atom.cpp | 14 ++++---- src/compute_property_atom.h | 2 +- src/dump_custom.cpp | 20 ++++++------ src/fix_group.cpp | 8 ++--- src/fix_property_atom.cpp | 22 ++++++------- src/fix_store_state.cpp | 6 ++-- src/library.cpp | 54 +++++++++++++++---------------- src/set.cpp | 4 +-- src/utils.cpp | 6 ++-- 13 files changed, 90 insertions(+), 90 deletions(-) diff --git a/doc/src/compute_property_atom.rst b/doc/src/compute_property_atom.rst index c4657ce82c..fee859d96e 100644 --- a/doc/src/compute_property_atom.rst +++ b/doc/src/compute_property_atom.rst @@ -136,7 +136,7 @@ When that command is used specific names are given to each attribute which are the "name" portion of these attributes. For arrays *i2_name* and *d2_name*, the column of the array must also be included following the name in brackets: e.g. d2_xyz[2], i2_mySpin[3]. - + The additional quantities only accessible via this command, and not directly via the :doc:`dump custom ` command, are as follows. diff --git a/src/KOKKOS/atom_kokkos.cpp b/src/KOKKOS/atom_kokkos.cpp index 3304d638ce..f40b9c324a 100644 --- a/src/KOKKOS/atom_kokkos.cpp +++ b/src/KOKKOS/atom_kokkos.cpp @@ -272,7 +272,7 @@ int AtomKokkos::add_custom(const char *name, int flag, int cols) ivector = (int **) memory->srealloc(ivector,nivector*sizeof(int *), "atom:ivector"); memory->create(ivector[index],nmax,"atom:ivector"); - + } else if (flag == 1 && cols == 0) { index = ndvector; ndvector++; @@ -299,10 +299,10 @@ int AtomKokkos::add_custom(const char *name, int flag, int cols) iarray = (int ***) memory->srealloc(iarray,niarray*sizeof(int **), "atom:iarray"); memory->create(iarray[index],nmax,cols,"atom:iarray"); - + icols = (int *) memory->srealloc(icols,niarray*sizeof(int),"atom:icols"); icols[index] = cols; - + } else if (flag == 1 && cols) { index = ndarray; ndarray++; @@ -318,7 +318,7 @@ int AtomKokkos::add_custom(const char *name, int flag, int cols) dcols = (int *) memory->srealloc(dcols,ndarray*sizeof(int),"atom:dcols"); dcols[index] = cols; } - + return index; } @@ -335,7 +335,7 @@ void AtomKokkos::remove_custom(int index, int flag, int cols) ivector[index] = NULL; delete [] ivname[index]; ivname[index] = NULL; - + } else if (flag == 1 && cols == 0) { dvector[index] = NULL; delete [] dvname[index]; @@ -346,7 +346,7 @@ void AtomKokkos::remove_custom(int index, int flag, int cols) iarray[index] = NULL; delete [] ianame[index]; ianame[index] = NULL; - + } else if (flag == 1 && cols) { memory->destroy(darray[index]); darray[index] = NULL; diff --git a/src/VTK/dump_vtk.cpp b/src/VTK/dump_vtk.cpp index 75092ff204..f94a6957fb 100644 --- a/src/VTK/dump_vtk.cpp +++ b/src/VTK/dump_vtk.cpp @@ -757,7 +757,7 @@ int DumpVTK::count() i = ATTRIBUTES + nfield + ithresh; iwhich = atom->find_custom(id_custom[field2index[i]],flag,cols); int *ivector = atom->ivector[iwhich]; - for (i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) dchoose[i] = ivector[i]; ptr = dchoose; nstride = 1; @@ -775,7 +775,7 @@ int DumpVTK::count() iwhich = atom->find_custom(id_custom[field2index[i]],flag,cols); int **iarray = atom->iarray[iwhich]; int icol = argindex[i] - 1; - for (i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) dchoose[i] = iarray[i][icol]; ptr = dchoose; nstride = 1; @@ -1827,7 +1827,7 @@ int DumpVTK::parse_fields(int narg, char **arg) field2index[ATTRIBUTES+i] = add_variable(argi.get_name()); name[ATTRIBUTES+i] = arg[iarg]; break; - + // custom per-atom integer vector = i_ID case ArgInfo::INAME: diff --git a/src/atom.cpp b/src/atom.cpp index 760aba5845..c1cb9e011b 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -2481,7 +2481,7 @@ int Atom::add_custom(const char *name, int flag, int cols) ivector = (int **) memory->srealloc(ivector,nivector*sizeof(int *), "atom:ivector"); memory->create(ivector[index],nmax,"atom:ivector"); - + } else if (flag == 1 && cols == 0) { index = ndvector; ndvector++; @@ -2501,10 +2501,10 @@ int Atom::add_custom(const char *name, int flag, int cols) iarray = (int ***) memory->srealloc(iarray,niarray*sizeof(int **), "atom:iarray"); memory->create(iarray[index],nmax,cols,"atom:iarray"); - + icols = (int *) memory->srealloc(icols,niarray*sizeof(int),"atom:icols"); icols[index] = cols; - + } else if (flag == 1 && cols) { index = ndarray; ndarray++; @@ -2518,7 +2518,7 @@ int Atom::add_custom(const char *name, int flag, int cols) dcols = (int *) memory->srealloc(dcols,ndarray*sizeof(int),"atom:dcols"); dcols[index] = cols; } - + return index; } @@ -2542,7 +2542,7 @@ void Atom::remove_custom(int index, int flag, int cols) ivector[index] = NULL; delete [] ivname[index]; ivname[index] = NULL; - + } else if (flag == 1 && cols == 0) { memory->destroy(dvector[index]); dvector[index] = NULL; @@ -2554,7 +2554,7 @@ void Atom::remove_custom(int index, int flag, int cols) iarray[index] = NULL; delete [] ianame[index]; ianame[index] = NULL; - + } else if (flag == 1 && cols) { memory->destroy(darray[index]); darray[index] = NULL; @@ -2762,7 +2762,7 @@ void *Atom::extract(const char *name) if (strcmp(name, "damage") == 0) return (void *) damage; // DPD-REACT pakage - + if (strcmp(name,"dpdTheta") == 0) return (void *) dpdTheta; // DPD-MESO package @@ -2790,15 +2790,15 @@ void *Atom::extract(const char *name) if (name[0] == 'd') which = 1; int array = 0; if (name[1] == '2') array = 1; - + int index,flag,cols; if (!array) index = find_custom(&name[2],flag,cols); else index = find_custom(&name[3],flag,cols); - + if (index < 0) return NULL; if (which != flag) return NULL; if ((!array && cols) || (array && !cols)) return NULL; - + if (!which && !array) return (void *) ivector[index]; if (which && !array) return (void *) dvector[index]; if (!which && array) return (void *) iarray[index]; @@ -2906,14 +2906,14 @@ int Atom::extract_datatype(const char *name) // custom vectors and arrays // OLDSTYLE code - + if (strstr(name,"i_") == name || strstr(name,"d_") == name || strstr(name,"i2_") == name || strstr(name,"d2_") == name) { int which = 0; if (name[0] == 'd') which = 1; int array = 0; if (name[1] == '2') array = 1; - + int index,flag,cols; if (!array) index = find_custom(&name[2],flag,cols); else index = find_custom(&name[3],flag,cols); diff --git a/src/compute_property_atom.cpp b/src/compute_property_atom.cpp index a7eb4bf144..e8e1293e28 100644 --- a/src/compute_property_atom.cpp +++ b/src/compute_property_atom.cpp @@ -147,8 +147,8 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) : pack_choice[i] = &ComputePropertyAtom::pack_mu; // pack magnetic variables - - } else if (strcmp(arg[iarg],"spx") == 0) { + + } else if (strcmp(arg[iarg],"spx") == 0) { if (!atom->sp_flag) error->all(FLERR,"Compute property/atom for " "atom property that isn't allocated"); @@ -185,7 +185,7 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) : pack_choice[i] = &ComputePropertyAtom::pack_fmz; // bond count - + } else if (strcmp(arg[iarg],"nbonds") == 0) { if (!atom->molecule_flag) error->all(FLERR,"Compute property/atom for " @@ -193,7 +193,7 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) : pack_choice[i] = &ComputePropertyAtom::pack_nbonds; // finite-size particles - + } else if (strcmp(arg[iarg],"radius") == 0) { if (!atom->radius_flag) error->all(FLERR,"Compute property/atom for " @@ -401,11 +401,11 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) : // custom per-atom arrays, must include bracketed index // OLDSTYLE code - } else if (strstr(arg[iarg],"i2_") == arg[iarg] || + } else if (strstr(arg[iarg],"i2_") == arg[iarg] || strstr(arg[iarg],"d2_") == arg[iarg]) { int which = 0; if (arg[iarg][0] == 'd') which = 1; - + int n = strlen(arg[iarg]); char *suffix = new char[n]; strcpy(suffix,&arg[iarg][3]); @@ -418,7 +418,7 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS *lmp, int narg, char **arg) : colindex[i] = utils::inumeric(FLERR,ptr+1,true,lmp); *ptr = '\0'; } else error->all(FLERR,"Compute property/atom custom array is not indexed"); - + int flag,cols; index[i] = atom->find_custom(suffix,flag,cols); delete [] suffix; diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h index 19f8b73451..d8b1cae449 100644 --- a/src/compute_property_atom.h +++ b/src/compute_property_atom.h @@ -109,7 +109,7 @@ class ComputePropertyAtom : public Compute { void pack_tqx(int); void pack_tqy(int); void pack_tqz(int); - + void pack_end1x(int); void pack_end1y(int); void pack_end1z(int); diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 68a2ab4a57..3aac7a3e79 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -1046,7 +1046,7 @@ int DumpCustom::count() int iwhich = custom[field2index[i]]; ptr = atom->dvector[iwhich]; nstride = 1; - + } else if (thresh_array[ithresh] == IARRAY) { i = nfield + ithresh; int iwhich = custom[field2index[i]]; @@ -1977,12 +1977,12 @@ int DumpCustom::modify_param(int narg, char **arg) "Dump custom property array is accessed out-of-range"); thresh_array[nthresh] = DARRAY; } - + field2index[nfield+nthresh] = add_custom(name,0); break; // custom per atom integer vector or array - + case ArgInfo::INAME: n = atom->find_custom(name,flag,cols); @@ -2015,7 +2015,7 @@ int DumpCustom::modify_param(int narg, char **arg) } // set operation type of threshold - + if (strcmp(arg[2],"<") == 0) thresh_op[nthresh] = LT; else if (strcmp(arg[2],"<=") == 0) thresh_op[nthresh] = LE; else if (strcmp(arg[2],">") == 0) thresh_op[nthresh] = GT; @@ -2024,11 +2024,11 @@ int DumpCustom::modify_param(int narg, char **arg) else if (strcmp(arg[2],"!=") == 0) thresh_op[nthresh] = NEQ; else if (strcmp(arg[2],"|^") == 0) thresh_op[nthresh] = XOR; else error->all(FLERR,"Invalid dump_modify thresh operator"); - + // set threshold value as number or special LAST keyword // create FixStore to hold LAST values, should work with restart // id = dump-ID + nthreshlast + DUMP_STORE, fix group = dump group - + if (strcmp(arg[3],"LAST") != 0) { thresh_value[nthresh] = utils::numeric(FLERR,arg[3],false,lmp); thresh_last[nthresh] = -1; @@ -2038,17 +2038,17 @@ int DumpCustom::modify_param(int narg, char **arg) thresh_fixID = (char **) memory->srealloc(thresh_fixID,(nthreshlast+1)*sizeof(char *),"dump:thresh_fixID"); memory->grow(thresh_first,(nthreshlast+1),"dump:thresh_first"); - + std::string threshid = fmt::format("{}{}_DUMP_STORE",id,nthreshlast); thresh_fixID[nthreshlast] = utils::strdup(threshid); threshid += fmt::format(" {} STORE peratom 1 1", group->names[igroup]); thresh_fix[nthreshlast] = (FixStore *) modify->add_fix(threshid); - + thresh_last[nthreshlast] = nthreshlast; thresh_first[nthreshlast] = 1; nthreshlast++; } - + nthresh++; return 4; } @@ -2135,7 +2135,7 @@ void DumpCustom::pack_custom(int n) int flag = custom_flag[field2index[n]]; int iwhich = custom[field2index[n]]; int index = argindex[n]; - + if (flag == IVEC) { int *ivector = atom->ivector[iwhich]; for (int i = 0; i < nchoose; i++) { diff --git a/src/fix_group.cpp b/src/fix_group.cpp index 03a046d3bf..c15f2590c5 100644 --- a/src/fix_group.cpp +++ b/src/fix_group.cpp @@ -61,7 +61,7 @@ idregion(nullptr), idvar(nullptr), idprop(nullptr) delete [] idregion; idregion = utils::strdup(arg[iarg+1]); iarg += 2; - + } else if (strcmp(arg[iarg],"var") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal group command"); if (input->variable->find(arg[iarg+1]) < 0) @@ -70,19 +70,19 @@ idregion(nullptr), idvar(nullptr), idprop(nullptr) delete [] idvar; idvar = utils::strdup(arg[iarg+1]); iarg += 2; - + } else if (strcmp(arg[iarg],"property") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal group command"); int flag,cols; iprop = atom->find_custom(arg[iarg+1],flag,cols); - if (iprop < 1 || cols) + if (iprop < 1 || cols) error->all(FLERR,"Custom per-atom vector for group dynamic " "does not exist"); propflag = 1; delete [] idprop; idprop = utils::strdup(arg[iarg+1]); iarg += 2; - + } else if (strcmp(arg[iarg],"every") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal group command"); nevery = utils::inumeric(FLERR,arg[iarg+1],false,lmp); diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp index 0ca8a75632..7ec30025bc 100644 --- a/src/fix_property_atom.cpp +++ b/src/fix_property_atom.cpp @@ -50,7 +50,7 @@ FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) : nvalue = 0; values_peratom = 0; - + while (iarg < narg) { if (strcmp(arg[iarg],"mol") == 0) { if (atom->molecule_flag) @@ -114,7 +114,7 @@ FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) : // custom atom array // OLDSTYLE code - } else if (strstr(arg[iarg],"i2_") == arg[iarg] || + } else if (strstr(arg[iarg],"i2_") == arg[iarg] || strstr(arg[iarg],"d2_") == arg[iarg]) { if (iarg+2 > narg) error->all(FLERR,"Illegal fix property/atom command"); int which = 0; @@ -539,7 +539,7 @@ void FixPropertyAtom::grow_arrays(int nmax) void FixPropertyAtom::copy_arrays(int i, int j, int /*delflag*/) { int k,ncol; - + for (int nv = 0; nv < nvalue; nv++) { if (style[nv] == MOLECULE) atom->molecule[j] = atom->molecule[i]; @@ -697,15 +697,15 @@ int FixPropertyAtom::pack_exchange(int i, double *buf) else if (style[nv] == DVEC) buf[m++] = atom->dvector[index[nv]][i]; else if (style[nv] == IARRAY) { ncol = cols[nv]; - for (k = 0; k < ncol; k++) + for (k = 0; k < ncol; k++) buf[m++] = ubuf(atom->iarray[index[nv]][i][k]).d; } else if (style[nv] == DARRAY) { ncol = cols[nv]; - for (k = 0; k < ncol; k++) + for (k = 0; k < ncol; k++) buf[m++] = atom->darray[index[nv]][i][k]; } } - + return m; } @@ -731,15 +731,15 @@ int FixPropertyAtom::unpack_exchange(int nlocal, double *buf) atom->dvector[index[nv]][nlocal] = buf[m++]; else if (style[nv] == IARRAY) { ncol = cols[nv]; - for (k = 0; k < ncol; k++) + for (k = 0; k < ncol; k++) atom->iarray[index[nv]][nlocal][k] = (int) ubuf(buf[m++]).i; } else if (style[nv] == DARRAY) { ncol = cols[nv]; - for (k = 0; k < ncol; k++) + for (k = 0; k < ncol; k++) atom->darray[index[nv]][nlocal][k] = buf[m++]; } } - + return m; } @@ -750,9 +750,9 @@ int FixPropertyAtom::unpack_exchange(int nlocal, double *buf) int FixPropertyAtom::pack_restart(int i, double *buf) { int k,ncol; - + // pack buf[0] this way because other fixes unpack it - + buf[0] = values_peratom+1; int m = 1; diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp index 1f302b4ca3..1d3d48a06b 100644 --- a/src/fix_store_state.cpp +++ b/src/fix_store_state.cpp @@ -293,7 +293,7 @@ FixStoreState::FixStoreState(LAMMPS *lmp, int narg, char **arg) : } else if (which[i] == ArgInfo::DNAME) { int icustom,iflag,icol; icustom = atom->find_custom(ids[i],iflag,icol); - if (icustom < 0) + if (icustom < 0) error->all(FLERR,"Custom vector/array for fix store/state does not exist"); if (argindex[i] == 0) { if (!iflag || icol) @@ -311,7 +311,7 @@ FixStoreState::FixStoreState(LAMMPS *lmp, int narg, char **arg) : } else if (which[i] == ArgInfo::INAME) { int icustom,iflag,icol; icustom = atom->find_custom(ids[i],iflag,icol); - if (icustom < 0) + if (icustom < 0) error->all(FLERR,"Custom vector/array for fix store/state does not exist"); if (argindex[i] == 0) { if (iflag || icol) @@ -417,7 +417,7 @@ void FixStoreState::init() } else if (which[m] == ArgInfo::INAME || which[m] == ArgInfo::DNAME) { int icustom,iflag,cols; icustom = atom->find_custom(ids[m],iflag,cols); - if (icustom < 0) + if (icustom < 0) error->all(FLERR,"Custom vector/array for fix store/state does not exist"); value2index[m] = icustom; } diff --git a/src/library.cpp b/src/library.cpp index b6cdd02e9f..1397cf889e 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -2834,7 +2834,7 @@ void lammps_gather(void *handle, char *name, int type, int count, void *data) int i,j,offset,fcid,ltype,icol; // error if tags are not defined or not consecutive - + int flag = 0; if (lmp->atom->tag_enable == 0 || lmp->atom->tag_consecutive() == 0) flag = 1; @@ -2849,7 +2849,7 @@ void lammps_gather(void *handle, char *name, int type, int count, void *data) void *vptr = lmp->atom->extract(name); // fix - + if (vptr==nullptr && utils::strmatch(name,"^f_")) { fcid = lmp->modify->find_fix(&name[2]); @@ -2884,7 +2884,7 @@ void lammps_gather(void *handle, char *name, int type, int count, void *data) } // compute - + if (vptr==nullptr && utils::strmatch(name,"^c_")) { fcid = lmp->modify->find_compute(&name[2]); @@ -2913,7 +2913,7 @@ void lammps_gather(void *handle, char *name, int type, int count, void *data) if (count==1) vptr = (void *) lmp->modify->compute[fcid]->vector_atom; else vptr = (void *) lmp->modify->compute[fcid]->array_atom; } - + // custom fix property/atom vector or array // OLDSTYLE code @@ -2930,7 +2930,7 @@ void lammps_gather(void *handle, char *name, int type, int count, void *data) lmp->error->warning(FLERR,"lammps_gather: unknown property/atom id"); return; } - + if (ltype != type) { if (lmp->comm->me == 0) lmp->error->warning(FLERR,"lammps_gather: mismatch property/atom type"); @@ -2950,7 +2950,7 @@ void lammps_gather(void *handle, char *name, int type, int count, void *data) if (count == 1) { if (ltype==0) vptr = (void *) lmp->atom->ivector[fcid]; else vptr = (void *) lmp->atom->dvector[fcid]; - } else { + } else { if (ltype==0) vptr = (void *) lmp->atom->iarray[fcid]; else vptr = (void *) lmp->atom->darray[fcid]; } @@ -2963,11 +2963,11 @@ void lammps_gather(void *handle, char *name, int type, int count, void *data) lmp->error->warning(FLERR,"lammps_gather: undefined property name"); return; } - + // copy = Natom length vector of per-atom values // use atom ID to insert each atom's values into copy // MPI_Allreduce with MPI_SUM to merge into data, ordered by atom ID - + if (type==0) { int *vector = nullptr; int **array = nullptr; @@ -3078,7 +3078,7 @@ void lammps_gather_concat(void *handle, char *name, int type, int count, void *d int i,offset,fcid,ltype,icol; // error if tags are not defined or not consecutive - + int flag = 0; if (lmp->atom->tag_enable == 0) flag = 1; if (lmp->atom->natoms > MAXSMALLINT) flag = 1; @@ -3126,7 +3126,7 @@ void lammps_gather_concat(void *handle, char *name, int type, int count, void *d } // compute - + if (vptr==nullptr && utils::strmatch(name,"^c_")) { fcid = lmp->modify->find_compute(&name[2]); @@ -3162,7 +3162,7 @@ void lammps_gather_concat(void *handle, char *name, int type, int count, void *d if ((vptr==nullptr) && ((strstr(name,"d_") == name) || (strstr(name,"i_") == name) || (strstr(name,"d2_") == name) || (strstr(name,"i2_") == name))) { - + if ((strstr(name,"d_") == name) || (strstr(name,"i_") == name)) fcid = lmp->atom->find_custom(&name[2],ltype,icol); else fcid = lmp->atom->find_custom(&name[3],ltype,icol); @@ -3173,7 +3173,7 @@ void lammps_gather_concat(void *handle, char *name, int type, int count, void *d "unknown property/atom id"); return; } - + if (ltype != type) { if (lmp->comm->me == 0) lmp->error->warning(FLERR,"lammps_gather_concat: " @@ -3221,7 +3221,7 @@ void lammps_gather_concat(void *handle, char *name, int type, int count, void *d if (type == 0) { int *vector = nullptr; int **array = nullptr; - + const int imgunpack = (count == 3) && (strcmp(name,"image") == 0); if ((count == 1) || imgunpack) vector = (int *) vptr; @@ -3345,7 +3345,7 @@ void lammps_gather_subset(void *handle, char *name, tagint id; // error if tags are not defined or not consecutive - + int flag = 0; if (lmp->atom->tag_enable == 0) flag = 1; if (lmp->atom->natoms > MAXSMALLINT) flag = 1; @@ -3358,7 +3358,7 @@ void lammps_gather_subset(void *handle, char *name, void *vptr = lmp->atom->extract(name); // fix - + if (vptr==nullptr && utils::strmatch(name,"^f_")) { fcid = lmp->modify->find_fix(&name[2]); @@ -3391,7 +3391,7 @@ void lammps_gather_subset(void *handle, char *name, } // compute - + if (vptr==nullptr && utils::strmatch(name,"^c_")) { fcid = lmp->modify->find_compute(&name[2]); @@ -3438,7 +3438,7 @@ void lammps_gather_subset(void *handle, char *name, "unknown property/atom id"); return; } - + if (ltype != type) { if (lmp->comm->me == 0) lmp->error->warning(FLERR,"lammps_gather_subset: " @@ -3529,7 +3529,7 @@ void lammps_gather_subset(void *handle, char *name, } else { double *vector = nullptr; double **array = nullptr; - + if (count == 1) vector = (double *) vptr; else array = (double **) vptr; @@ -3619,7 +3619,7 @@ void lammps_scatter(void *handle, char *name, int type, int count, void *data) void *vptr = lmp->atom->extract(name); // fix - + if (vptr==nullptr && utils::strmatch(name,"^f_")) { fcid = lmp->modify->find_fix(&name[2]); @@ -3647,7 +3647,7 @@ void lammps_scatter(void *handle, char *name, int type, int count, void *data) } // compute - + if (vptr==nullptr && utils::strmatch(name,"^c_")) { fcid = lmp->modify->find_compute(&name[2]); @@ -3679,7 +3679,7 @@ void lammps_scatter(void *handle, char *name, int type, int count, void *data) // custom fix property/atom vector or array // OLDSTYLE code - + if ((vptr == nullptr) && ((strstr(name,"d_") == name) || (strstr(name,"i_") == name) || (strstr(name,"d2_") == name) || (strstr(name,"i2_") == name))) { @@ -3693,7 +3693,7 @@ void lammps_scatter(void *handle, char *name, int type, int count, void *data) lmp->error->warning(FLERR,"lammps_scatter: unknown property/atom id"); return; } - + if (ltype != type) { if (lmp->comm->me == 0) lmp->error->warning(FLERR,"lammps_scatter: mismatch property/atom type"); @@ -3713,7 +3713,7 @@ void lammps_scatter(void *handle, char *name, int type, int count, void *data) if (count == 1) { if (ltype==0) vptr = (void *) lmp->atom->ivector[fcid]; else vptr = (void *) lmp->atom->dvector[fcid]; - } else { + } else { if (ltype==0) vptr = (void *) lmp->atom->iarray[fcid]; else vptr = (void *) lmp->atom->darray[fcid]; } @@ -3843,7 +3843,7 @@ void lammps_scatter_subset(void *handle, char *name,int type, int count, void *vptr = lmp->atom->extract(name); // fix - + if (vptr==nullptr && utils::strmatch(name,"^f_")) { fcid = lmp->modify->find_fix(&name[2]); @@ -3903,7 +3903,7 @@ void lammps_scatter_subset(void *handle, char *name,int type, int count, // custom fix property/atom vector or array // OLDSTYLE code - + if ((vptr == nullptr) && ((strstr(name,"d_") == name) || (strstr(name,"i_") == name) || (strstr(name,"d2_") == name) || (strstr(name,"i2_") == name))) { @@ -3918,7 +3918,7 @@ void lammps_scatter_subset(void *handle, char *name,int type, int count, "unknown property/atom id"); return; } - + if (ltype != type) { if (lmp->comm->me == 0) lmp->error->warning(FLERR,"lammps_scatter_subset: " @@ -3939,7 +3939,7 @@ void lammps_scatter_subset(void *handle, char *name,int type, int count, if (count == 1) { if (ltype==0) vptr = (void *) lmp->atom->ivector[fcid]; else vptr = (void *) lmp->atom->dvector[fcid]; - } else { + } else { if (ltype==0) vptr = (void *) lmp->atom->iarray[fcid]; else vptr = (void *) lmp->atom->darray[fcid]; } diff --git a/src/set.cpp b/src/set.cpp index 2a36874c8b..2966106345 100644 --- a/src/set.cpp +++ b/src/set.cpp @@ -581,7 +581,7 @@ void Set::command(int narg, char **arg) if (iarg+2 > narg) error->all(FLERR,"Illegal set command"); index_custom = atom->find_custom(argi.get_name(),flag,cols); if (index_custom < 0) error->all(FLERR,"Custom property {} does not exist",pname); - + switch (argi.get_type()) { case ArgInfo::INAME: @@ -1025,7 +1025,7 @@ void Set::set(int keyword) } // update bonus data numbers - + if (keyword == SHAPE) { bigint nlocal_bonus = avec_ellipsoid->nlocal_bonus; MPI_Allreduce(&nlocal_bonus,&atom->nellipsoids,1, diff --git a/src/utils.cpp b/src/utils.cpp index fd3170859b..5be2b37c34 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -633,15 +633,15 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod expandflag = 1; } } - + } else if (arg[iarg][0] == 'd') { *ptr1 = '\0'; int flag,cols; int icustom = lmp->atom->find_custom(&arg[iarg][3],flag,cols); *ptr1 = '['; - + // check for custom per-atom floating point array - + if (icustom >= 0) { if (mode == 1 && flag && cols) { nmax = cols;