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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-17 23:48:15 +00:00
parent b161fbb52a
commit d55f968432
112 changed files with 1525 additions and 1350 deletions
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src/minimize.cpp
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@ -36,6 +36,9 @@ void Minimize::command(int narg, char **arg)
if (domain->box_exist == 0)
error->all(FLERR,"Minimize command before simulation box is defined");
// ignore minimize command, if walltime limit was already reached
if (timer->is_timeout()) return;
update->etol = force->numeric(FLERR,arg[0]);
update->ftol = force->numeric(FLERR,arg[1]);
update->nsteps = force->inumeric(FLERR,arg[2]);
@ -54,6 +57,7 @@ void Minimize::command(int narg, char **arg)
error->all(FLERR,"Cannot yet use minimize with Kokkos");
lmp->init();
timer->init_timeout();
update->minimize->setup();
timer->init();