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code cleanup

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This commit is contained in:
Steve Plimpton
2023-09-02 18:45:37 -06:00
parent 8c3ab47fd6
commit 57f6526e53
6 changed files with 59 additions and 79 deletions
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10
src/write_data.cpp
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@ -331,10 +331,12 @@ void WriteData::header()
fmt::print(fp,"{} {} {} xy xz yz\n",domain->xy,domain->xz,domain->yz);
} else if (triclinic_general) {
fmt::print(fp,"\n{} {} {} {} avec\n{} {} {} {} bvec\n{} {} {} {} cvec\n",
domain->avec[0],domain->avec[1],domain->avec[2],domain->tri_origin[0],
domain->bvec[0],domain->bvec[1],domain->bvec[2],domain->tri_origin[1],
domain->cvec[0],domain->cvec[1],domain->cvec[2],domain->tri_origin[2]);
fmt::print(fp,"\n{} {} {} avec\n{} {} {} bvec\n{} {} {} cvec\n",
domain->avec[0],domain->avec[1],domain->avec[2],
domain->bvec[0],domain->bvec[1],domain->bvec[2],
domain->cvec[0],domain->cvec[1],domain->cvec[2]);
fmt::print(fp,"{} {} {} gtri origin\n",
domain->gtri_origin[0],domain->gtri_origin[1],domain->gtri_origin[2]);
}
}