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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@371 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-03-08 00:54:02 +00:00
parent a70ee2eadc
commit 9e1f8bcd6a
64 changed files with 1785 additions and 772 deletions
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9
src/fix_ave_spatial.cpp
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@ -147,6 +147,15 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
if (delta <= 0.0) error->all("Illegal fix ave/spatial command");
invdelta = 1.0/delta;
if (domain->triclinic) {
if (dim == 0 && (domain->xy != 0.0 || domain->xz != 0.0))
error->all("Cannot (yet) use fix ave/spatial with triclinic box");
if (dim == 1 && (domain->xy != 0.0 || domain->yz != 0.0))
error->all("Cannot (yet) use fix ave/spatial with triclinic box");
if (dim == 2 && (domain->xz != 0.0 || domain->yz != 0.0))
error->all("Cannot (yet) use fix ave/spatial with triclinic box");
}
nvalues = 1;
if (which == COMPUTE) {
int icompute = modify->find_compute(id_compute);