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Fix error in HCP lattice basis 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2240 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2008-11-14 03:48:36 +00:00
parent 8e00822944
commit 293b4cfb57
1 changed files with 2 additions and 2 deletions
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4
src/lattice.cpp
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@ -94,8 +94,8 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
} else if (style == HCP) { } else if (style == HCP) {
add_basis(0.0,0.0,0.0); add_basis(0.0,0.0,0.0);
add_basis(0.5,0.5,0.0); add_basis(0.5,0.5,0.0);
add_basis(0.5,0.25,0.5); add_basis(0.5,5.0/6.0,0.5);
add_basis(0.0,0.75,0.5); add_basis(0.0,1.0/3.0,0.5);
} else if (style == SQ) { } else if (style == SQ) {
add_basis(0.0,0.0,0.0); add_basis(0.0,0.0,0.0);
} else if (style == SQ2) { } else if (style == SQ2) {