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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
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26
src/delete_atoms.cpp
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@ -11,8 +11,8 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "stdlib.h"
#include "string.h"
#include <stdlib.h>
#include <string.h>
#include "delete_atoms.h"
#include "atom.h"
#include "atom_vec.h"
@ -128,19 +128,19 @@ void DeleteAtoms::command(int narg, char **arg)
" atoms, new total = " BIGINT_FORMAT "\n",
ndelete,atom->natoms);
if (bond_flag || mol_flag) {
if (nbonds_previous)
if (nbonds_previous)
fprintf(screen,"Deleted " BIGINT_FORMAT
" bonds, new total = " BIGINT_FORMAT "\n",
ndelete_bonds,atom->nbonds);
if (nangles_previous)
if (nangles_previous)
fprintf(screen,"Deleted " BIGINT_FORMAT
" angles, new total = " BIGINT_FORMAT "\n",
ndelete_angles,atom->nangles);
if (ndihedrals_previous)
if (ndihedrals_previous)
fprintf(screen,"Deleted " BIGINT_FORMAT
" dihedrals, new total = " BIGINT_FORMAT "\n",
ndelete_dihedrals,atom->ndihedrals);
if (nimpropers_previous)
if (nimpropers_previous)
fprintf(screen,"Deleted " BIGINT_FORMAT
" impropers, new total = " BIGINT_FORMAT "\n",
ndelete_impropers,atom->nimpropers);
@ -152,19 +152,19 @@ void DeleteAtoms::command(int narg, char **arg)
" atoms, new total = " BIGINT_FORMAT "\n",
ndelete,atom->natoms);
if (bond_flag || mol_flag) {
if (nbonds_previous)
if (nbonds_previous)
fprintf(logfile,"Deleted " BIGINT_FORMAT
" bonds, new total = " BIGINT_FORMAT "\n",
ndelete_bonds,atom->nbonds);
if (nangles_previous)
if (nangles_previous)
fprintf(logfile,"Deleted " BIGINT_FORMAT
" angles, new total = " BIGINT_FORMAT "\n",
ndelete_angles,atom->nangles);
if (ndihedrals_previous)
if (ndihedrals_previous)
fprintf(logfile,"Deleted " BIGINT_FORMAT
" dihedrals, new total = " BIGINT_FORMAT "\n",
ndelete_dihedrals,atom->ndihedrals);
if (nimpropers_previous)
if (nimpropers_previous)
fprintf(logfile,"Deleted " BIGINT_FORMAT
" impropers, new total = " BIGINT_FORMAT "\n",
ndelete_impropers,atom->nimpropers);
@ -712,10 +712,10 @@ void DeleteAtoms::options(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"bond") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal delete_atoms command");
if (atom->molecular == 0)
if (atom->molecular == 0)
error->all(FLERR,"Cannot delete_atoms bond yes for "
"non-molecular systems");
if (atom->molecular == 2)
if (atom->molecular == 2)
error->all(FLERR,"Cannot use delete_atoms bond yes with "
"atom_style template");
if (strcmp(arg[iarg+1],"yes") == 0) bond_flag = 1;
@ -724,7 +724,7 @@ void DeleteAtoms::options(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"mol") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal delete_atoms command");
if (atom->molecule_flag == 0)
if (atom->molecule_flag == 0)
error->all(FLERR,"Delete_atoms mol yes requires "
"atom attribute molecule");
if (strcmp(arg[iarg+1],"yes") == 0) mol_flag = 1;