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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-01-02 19:24:46 +00:00
parent 428ca84042
commit b2e9f7dc10
145 changed files with 2801 additions and 2615 deletions
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src/temper.cpp
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@ -125,7 +125,7 @@ void Temper::command(int narg, char **arg)
int id = modify->find_compute("thermo_pe");
if (id < 0) error->all("Tempering could not find thermo_pe compute");
Compute *pe_compute = modify->compute[id];
pe_compute->add_step(update->ntimestep + nevery);
pe_compute->addstep(update->ntimestep + nevery);
// create MPI communicator for root proc from each world
@ -209,7 +209,7 @@ void Temper::command(int narg, char **arg)
pe = pe_compute->compute_scalar();
if (output->thermo->normflag) pe /= atom->natoms;
pe_compute->add_step(update->ntimestep + nevery);
pe_compute->addstep(update->ntimestep + nevery);
// which = which of 2 kinds of swaps to do (0,1)