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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9602 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-03-07 16:16:01 +00:00
parent 0316286abb
commit 20ad5bdda3
3 changed files with 9 additions and 13 deletions
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4
src/atom.cpp
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@ -145,11 +145,8 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
map_bucket = NULL;
map_hash = NULL;
// default atom style = atomic
atom_style = NULL;
avec = NULL;
create_avec("atomic",0,NULL,lmp->suffix);
datamask = ALL_MASK;
datamask_ext = ALL_MASK;
@ -277,6 +274,7 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
int sflag;
avec = new_avec(style,suffix,sflag);
avec->settings(narg,arg);
avec->grow(1);
if (sflag) {
char estyle[256];

2
src/input.cpp
View File

@ -1007,7 +1007,7 @@ void Input::atom_style()
// 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);
//atom->avec->grow(1);
}
/* ---------------------------------------------------------------------- */

16
src/lammps.cpp
View File

@ -449,14 +449,15 @@ LAMMPS::~LAMMPS()
void LAMMPS::create()
{
atom = new Atom(this);
if (cuda) neighbor = new NeighborCuda(this);
else neighbor = new Neighbor(this);
// Comm class must be created before Atom
// so that nthreads is defined when create_avec invokes grow()
if (cuda) comm = new CommCuda(this);
else comm = new Comm(this);
if (cuda) neighbor = new NeighborCuda(this);
else neighbor = new Neighbor(this);
if (cuda) domain = new DomainCuda(this);
#ifdef LMP_USER_OMP
else domain = new DomainOMP(this);
@ -464,11 +465,8 @@ void LAMMPS::create()
else domain = new Domain(this);
#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);
atom = new Atom(this);
atom->create_avec("atomic",0,NULL,suffix);
group = new Group(this);
force = new Force(this); // must be after group, to create temperature