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use std::vector<>.data() to access underlying pointer

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This commit is contained in:
Axel Kohlmeyer
2024-10-05 21:58:47 -04:00
parent e142ad8dfa
commit 6ab0b2c249
1 changed files with 3 additions and 3 deletions
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6
src/MC/fix_sgcmc.cpp
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@ -274,7 +274,7 @@ void FixSemiGrandCanonicalMC::init()
// MPI sum to get global concentrations.
speciesCounts.resize(atom->ntypes+1);
MPI_Allreduce(&localSpeciesCounts.front(), &speciesCounts.front(), localSpeciesCounts.size(),
MPI_Allreduce(localSpeciesCounts.data(), speciesCounts.data(), localSpeciesCounts.size(),
MPI_INT, MPI_SUM, world);
}
@ -411,7 +411,7 @@ void FixSemiGrandCanonicalMC::doMC()
// semi-grandcanonical method.
// MPI sum of total change in number of particles.
MPI_Allreduce(&deltaN.front(), &deltaNGlobal.front(), deltaN.size(), MPI_INT, MPI_SUM, world);
MPI_Allreduce(deltaN.data(), deltaNGlobal.data(), deltaN.size(), MPI_INT, MPI_SUM, world);
// Perform outer MC acceptance test.
// This is done in sync by all processors.
@ -476,7 +476,7 @@ void FixSemiGrandCanonicalMC::doMC()
if (mask[i] & groupbit)
localSpeciesCounts[*type]++;
}
MPI_Allreduce(&localSpeciesCounts.front(), &speciesCounts.front(), localSpeciesCounts.size(), MPI_INT, MPI_SUM, world);
MPI_Allreduce(localSpeciesCounts.data(), speciesCounts.data(), localSpeciesCounts.size(), MPI_INT, MPI_SUM, world);
}
}