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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11276 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-21 14:53:10 +00:00
parent 334b4124a1
commit 03b8ad7cdd
1 changed files with 3 additions and 3 deletions
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6
src/respa.cpp
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@ -384,8 +384,8 @@ void Respa::setup()
copy_f_flevel(ilevel); copy_f_flevel(ilevel);
} }
modify->setup(vflag);
sum_flevel_f(); sum_flevel_f();
modify->setup(vflag);
output->setup(); output->setup();
update->setupflag = 0; update->setupflag = 0;
} }
@ -452,8 +452,8 @@ void Respa::setup_minimal(int flag)
copy_f_flevel(ilevel); copy_f_flevel(ilevel);
} }
modify->setup(vflag);
sum_flevel_f(); sum_flevel_f();
modify->setup(vflag);
update->setupflag = 0; update->setupflag = 0;
} }
@ -471,12 +471,12 @@ void Respa::run(int n)
ev_set(ntimestep); ev_set(ntimestep);
recurse(nlevels-1); recurse(nlevels-1);
sum_flevel_f(); // needed in case end_of_step or output use f
if (modify->n_end_of_step) modify->end_of_step(); if (modify->n_end_of_step) modify->end_of_step();
if (ntimestep == output->next) { if (ntimestep == output->next) {
timer->stamp(); timer->stamp();
sum_flevel_f();
output->write(update->ntimestep); output->write(update->ntimestep);
timer->stamp(TIME_OUTPUT); timer->stamp(TIME_OUTPUT);
} }