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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-29 21:27:42 +00:00
parent e954b14d99
commit b0007d45b7
23 changed files with 109 additions and 209 deletions
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9
src/minimize.cpp
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@ -19,6 +19,7 @@
#include "finish.h"
#include "timer.h"
#include "error.h"
#include "force.h"
using namespace LAMMPS_NS;
@ -35,10 +36,10 @@ void Minimize::command(int narg, char **arg)
if (domain->box_exist == 0)
error->all(FLERR,"Minimize command before simulation box is defined");
update->etol = atof(arg[0]);
update->ftol = atof(arg[1]);
update->nsteps = atoi(arg[2]);
update->max_eval = atoi(arg[3]);
update->etol = force->numeric(FLERR,arg[0]);
update->ftol = force->numeric(FLERR,arg[1]);
update->nsteps = force->inumeric(FLERR,arg[2]);
update->max_eval = force->inumeric(FLERR,arg[3]);
if (update->etol < 0.0 || update->ftol < 0.0)
error->all(FLERR,"Illegal minimize command");