ICODE-ADC/lammps
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code cleanup

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This commit is contained in:
Steve Plimpton
2023-09-02 18:46:58 -06:00
parent 57f6526e53
commit 78fbdad59e
2 changed files with 4 additions and 4 deletions
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2
src/create_box.cpp
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@ -117,7 +117,7 @@ void CreateBox::command(int narg, char **arg)
// use lattice2box() to generate origin and ABC vectors
// origin = abc lo
// ABC vectors = hi in one dim - orign
// ABC vectors = hi in one dim - origin
double avec[3],bvec[3],cvec[3],origin[3];
double px,py,pz;

6
src/lattice.cpp
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@ -239,11 +239,11 @@ Lattice::Lattice(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
if (origin[2] != 0.0)
error->all(FLERR,
"Lattice settings are not compatible with 2d simulation");
if (orientx[2] != 0 || orienty[2] != 0 ||
orientz[0] != 0 || orientz[1] != 0)
if (a1[2] != 0.0 || a2[2] != 0.0 || a3[0] != 0.0 || a3[1] != 0.0)
error->all(FLERR,
"Lattice settings are not compatible with 2d simulation");
if (a1[2] != 0.0 || a2[2] != 0.0 || a3[0] != 0.0 || a3[1] != 0.0)
if (orientx[2] != 0 || orienty[2] != 0 ||
orientz[0] != 0 || orientz[1] != 0)
error->all(FLERR,
"Lattice settings are not compatible with 2d simulation");
}