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Tweak error message

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This commit is contained in:
Stan Moore
2024-08-29 14:23:49 -06:00
parent 571076a5a7
commit 6fd022695a
3 changed files with 3 additions and 3 deletions
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2
src/KOKKOS/fix_qeq_reaxff_kokkos.cpp
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@ -324,7 +324,7 @@ void FixQEqReaxFFKokkos<DeviceType>::allocate_matrix()
Kokkos::parallel_reduce(nn,neigh_functor,m_cap_big);
}
if (m_cap_big > MAXSMALLINT)
error->one(FLERR,"Number of neighbors too large in fix qeq/reaxff");
error->one(FLERR,"Too many neighbors in fix qeq/reaxff");
m_cap = m_cap_big;
// deallocate first to reduce memory overhead

2
src/QEQ/fix_qeq.cpp
View File

@ -264,7 +264,7 @@ void FixQEq::allocate_matrix()
}
bigint m_cap_big = MAX((int)(m * safezone), mincap * MIN_NBRS);
if (m_cap_big > MAXSMALLINT)
error->one(FLERR,"Number of neighbors too large in fix qeq/reaxff");
error->one(FLERR,"Too many neighbors in fix qeq");
m_cap = m_cap_big;
H.n = n_cap;

2
src/REAXFF/fix_qeq_reaxff.cpp
View File

@ -363,7 +363,7 @@ void FixQEqReaxFF::allocate_matrix()
}
bigint m_cap_big = MAX((int)(m * safezone), mincap * REAX_MIN_NBRS);
if (m_cap_big > MAXSMALLINT)
error->one(FLERR,"Number of neighbors too large in fix qeq/reaxff");
error->one(FLERR,"Too many neighbors in fix qeq/reaxff");
m_cap = m_cap_big;
H.n = n_cap;