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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13413 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2015-04-16 15:09:54 +00:00
parent 74350d06da
commit 8df457d1ef
1 changed files with 2 additions and 0 deletions
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2
src/read_data.cpp
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@ -595,12 +595,14 @@ void ReadData::command(int narg, char **arg)
// do not use irregular() comm, which would not lose atoms, // do not use irregular() comm, which would not lose atoms,
// b/c then user could specify data file box as far too big and empty // b/c then user could specify data file box as far too big and empty
// do comm->init() but not comm->setup() b/c pair/neigh cutoffs not yet set // do comm->init() but not comm->setup() b/c pair/neigh cutoffs not yet set
// need call to map_set() b/c comm->exchange clears atom map
if (domain->nonperiodic == 2) { if (domain->nonperiodic == 2) {
if (domain->triclinic) domain->x2lamda(atom->nlocal); if (domain->triclinic) domain->x2lamda(atom->nlocal);
domain->reset_box(); domain->reset_box();
comm->init(); comm->init();
comm->exchange(); comm->exchange();
if (atom->map_style) atom->map_set();
if (domain->triclinic) domain->lamda2x(atom->nlocal); if (domain->triclinic) domain->lamda2x(atom->nlocal);
bigint natoms; bigint natoms;