git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9601 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-03-07 15:50:09 +00:00
parent e21af691be
commit 0316286abb
3 changed files with 11 additions and 3 deletions

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@ -273,13 +273,10 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
vfrac_flag = spin_flag = eradius_flag = ervel_flag = erforce_flag = 0; vfrac_flag = spin_flag = eradius_flag = ervel_flag = erforce_flag = 0;
// create instance of AtomVec // create instance of AtomVec
// use grow to initialize atom-based arrays to length 1
// so that x[0][0] can be referenced even if proc has no atoms
int sflag; int sflag;
avec = new_avec(style,suffix,sflag); avec = new_avec(style,suffix,sflag);
avec->settings(narg,arg); avec->settings(narg,arg);
avec->grow(1);
if (sflag) { if (sflag) {
char estyle[256]; char estyle[256];

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@ -1003,6 +1003,11 @@ void Input::atom_style()
if (domain->box_exist) if (domain->box_exist)
error->all(FLERR,"Atom_style command after simulation box is defined"); error->all(FLERR,"Atom_style command after simulation box is defined");
atom->create_avec(arg[0],narg-1,&arg[1],lmp->suffix); atom->create_avec(arg[0],narg-1,&arg[1],lmp->suffix);
// use grow to initialize atom-based arrays to length 1
// so that x[0][0] can be referenced even if proc has no atoms
atom->avec->grow(1);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

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@ -464,6 +464,12 @@ void LAMMPS::create()
else domain = new Domain(this); else domain = new Domain(this);
#endif #endif
// use grow to initialize atom-based arrays to length 1
// so that x[0][0] can be referenced even if proc has no atoms
// must be done after nthreads is defined by Comm class
atom->avec->grow(1);
group = new Group(this); group = new Group(this);
force = new Force(this); // must be after group, to create temperature force = new Force(this); // must be after group, to create temperature