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small corrections in the DIFFRACTION package, mostly cosmetic

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This commit is contained in:
Axel Kohlmeyer
2024-09-02 06:26:27 -04:00
parent 1b5413189d
commit 7c80b00f23
3 changed files with 15 additions and 14 deletions
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2
src/DIFFRACTION/compute_saed.cpp
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@ -401,7 +401,7 @@ void ComputeSAED::compute_vector()
// Setting up OMP // Setting up OMP
#if defined(_OPENMP) #if defined(_OPENMP)
if (me == 0 && echo) utils::logmesg(lmp," using {}OMP threads\n",comm->nthreads); if (me == 0 && echo) utils::logmesg(lmp," using {} OMP thread(s)\n",comm->nthreads);
#endif #endif
if (me == 0 && echo) utils::logmesg(lmp,"\n"); if (me == 0 && echo) utils::logmesg(lmp,"\n");

2
src/DIFFRACTION/compute_xrd.cpp
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@ -332,7 +332,7 @@ void ComputeXRD::compute_array()
// Setting up OMP // Setting up OMP
#if defined(_OPENMP) #if defined(_OPENMP)
if ((me == 0) && echo) utils::logmesg(lmp," using {} OMP threads\n",comm->nthreads); if ((me == 0) && echo) utils::logmesg(lmp," using {} OMP thread(s)\n",comm->nthreads);
#endif #endif
if ((me == 0) && echo) { if ((me == 0) && echo) {

1
src/DIFFRACTION/fix_saed_vtk.cpp
View File

@ -114,6 +114,7 @@ FixSAEDVTK::FixSAEDVTK(LAMMPS *lmp, int narg, char **arg) :
memory->create(vector_total,nrows,"saed/vtk:vector_total"); memory->create(vector_total,nrows,"saed/vtk:vector_total");
vector_flag = 1; vector_flag = 1;
extvector = 0;
size_vector = nrows; size_vector = nrows;
if (nOutput == 0) { if (nOutput == 0) {