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fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof

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This commit is contained in:
Steve Plimpton
2017-03-23 15:31:27 -06:00
parent dcede304df
commit 44841f6891
42 changed files with 316 additions and 154 deletions
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src/balance.cpp
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@ -256,6 +256,7 @@ void Balance::command(int narg, char **arg)
// insure particles are in current box & update box via shrink-wrap
// init entire system since comm->setup is done
// comm::init needs neighbor::init needs pair::init needs kspace::init, etc
// must reset atom map after exchange() since it clears it
MPI_Barrier(world);
double start_time = MPI_Wtime();
@ -267,6 +268,7 @@ void Balance::command(int narg, char **arg)
domain->reset_box();
comm->setup();
comm->exchange();
if (atom->map_style) atom->map_set();
if (domain->triclinic) domain->lamda2x(atom->nlocal);
// imbinit = initial imbalance