ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
This commit is contained in:
sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
Download Patch File Download Diff File Expand all files Collapse all files

14
src/create_atoms.cpp
View File

@ -11,9 +11,9 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "math.h"
#include "stdlib.h"
#include "string.h"
#include <math.h>
#include <stdlib.h>
#include <string.h>
#include "create_atoms.h"
#include "atom.h"
#include "atom_vec.h"
@ -225,7 +225,7 @@ void CreateAtoms::command(int narg, char **arg)
onemol->compute_center();
// molecule random number generator, different for each proc
ranmol = new RanMars(lmp,molseed+comm->me);
}
@ -422,8 +422,8 @@ void CreateAtoms::command(int narg, char **arg)
int molcreate = (atom->nlocal - nlocal_previous) / onemol->natoms;
// increment total bonds,angles,etc
// increment total bonds,angles,etc
bigint nmolme = molcreate;
bigint nmoltotal;
MPI_Allreduce(&nmolme,&nmoltotal,1,MPI_LMP_BIGINT,MPI_SUM,world);
@ -509,7 +509,7 @@ void CreateAtoms::command(int narg, char **arg)
improper_atom4[ilocal][j] += offset;
}
if (onemol->specialflag)
for (int j = 0; j < nspecial[ilocal][2]; j++)
for (int j = 0; j < nspecial[ilocal][2]; j++)
special[ilocal][j] += offset;
}
ilocal++;