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update to current master

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This commit is contained in:
Steve Plimpton
2020-04-30 11:57:17 -06:00
parent 986e5b746e 5c2f0ecc65
commit ecd3652f61
6448 changed files with 2492395 additions and 318578 deletions
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13
src/atom_vec.cpp
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@ -148,6 +148,19 @@ void AtomVec::init()
error->all(FLERR,"KOKKOS package requires a kokkos enabled atom_style");
}
/* ----------------------------------------------------------------------
roundup N so it is a multiple of DELTA
error if N exceeds 32-bit int, since will be used as arg to grow()
------------------------------------------------------------------------- */
bigint AtomVec::roundup(bigint n)
{
if (n % DELTA) n = n/DELTA * DELTA + DELTA;
if (n > MAXSMALLINT)
error->one(FLERR,"Too many atoms created on one or more procs");
return n;
}
/* ----------------------------------------------------------------------
grow nmax so it is a multiple of DELTA
------------------------------------------------------------------------- */