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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11938 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2014-05-07 16:25:27 +00:00
parent 4c9bba90f1
commit 59971d1616
6 changed files with 18 additions and 11 deletions
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14
src/atom_vec.cpp
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@ -22,6 +22,7 @@
using namespace LAMMPS_NS;
#define DELTA 16384
#define DELTA_BONUS 8192
/* ---------------------------------------------------------------------- */
@ -84,7 +85,7 @@ void AtomVec::init()
}
/* ----------------------------------------------------------------------
grow nmax
grow nmax so it is a multiple of DELTA
------------------------------------------------------------------------- */
void AtomVec::grow_nmax()
@ -93,6 +94,17 @@ void AtomVec::grow_nmax()
nmax += DELTA;
}
/* ----------------------------------------------------------------------
grow nmax_bonus so it is a multiple of DELTA_BONUS
------------------------------------------------------------------------- */
int AtomVec::grow_nmax_bonus(int nmax_bonus)
{
nmax_bonus = nmax_bonus/DELTA_BONUS * DELTA_BONUS;
nmax_bonus += DELTA_BONUS;
return nmax_bonus;
}
/* ----------------------------------------------------------------------
unpack one line from Velocities section of data file
------------------------------------------------------------------------- */

1
src/atom_vec.h
View File

@ -140,6 +140,7 @@ class AtomVec : protected Pointers {
};
void grow_nmax();
int grow_nmax_bonus(int);
};
}

4
src/atom_vec_body.cpp
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@ -28,8 +28,6 @@
using namespace LAMMPS_NS;
#define DELTA_BONUS 8192
/* ---------------------------------------------------------------------- */
AtomVecBody::AtomVecBody(LAMMPS *lmp) : AtomVec(lmp)
@ -159,7 +157,7 @@ void AtomVecBody::grow_reset()
void AtomVecBody::grow_bonus()
{
nmax_bonus += DELTA_BONUS;
nmax_bonus = grow_nmax_bonus(nmax_bonus);
if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
error->one(FLERR,"Per-processor system is too big");

4
src/atom_vec_ellipsoid.cpp
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@ -31,8 +31,6 @@
using namespace LAMMPS_NS;
using namespace MathConst;
#define DELTA_BONUS 8192
/* ---------------------------------------------------------------------- */
AtomVecEllipsoid::AtomVecEllipsoid(LAMMPS *lmp) : AtomVec(lmp)
@ -114,7 +112,7 @@ void AtomVecEllipsoid::grow_reset()
void AtomVecEllipsoid::grow_bonus()
{
nmax_bonus += DELTA_BONUS;
nmax_bonus = grow_nmax_bonus(nmax_bonus);
if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
error->one(FLERR,"Per-processor system is too big");

3
src/atom_vec_line.cpp
View File

@ -26,7 +26,6 @@
using namespace LAMMPS_NS;
#define DELTA_BONUS 10000
#define EPSILON 0.001
/* ---------------------------------------------------------------------- */
@ -123,7 +122,7 @@ void AtomVecLine::grow_reset()
void AtomVecLine::grow_bonus()
{
nmax_bonus += DELTA_BONUS;
nmax_bonus = grow_nmax_bonus(nmax_bonus);
if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
error->one(FLERR,"Per-processor system is too big");

3
src/atom_vec_tri.cpp
View File

@ -27,7 +27,6 @@
using namespace LAMMPS_NS;
#define DELTA_BONUS 10000
#define EPSILON 0.001
/* ---------------------------------------------------------------------- */
@ -124,7 +123,7 @@ void AtomVecTri::grow_reset()
void AtomVecTri::grow_bonus()
{
nmax_bonus += DELTA_BONUS;
nmax_bonus = grow_nmax_bonus(nmax_bonus);
if (nmax_bonus < 0 || nmax_bonus > MAXSMALLINT)
error->one(FLERR,"Per-processor system is too big");