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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
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10
src/fix_temp_rescale.cpp
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@ -41,7 +41,7 @@ FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) :
{
if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale command");
nevery = atoi(arg[3]);
nevery = force->inumeric(FLERR,arg[3]);
if (nevery <= 0) error->all(FLERR,"Illegal fix temp/rescale command");
scalar_flag = 1;
@ -55,14 +55,14 @@ FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) :
strcpy(tstr,&arg[4][2]);
tstyle = EQUAL;
} else {
t_start = atof(arg[4]);
t_start = force->numeric(FLERR,arg[4]);
t_target = t_start;
tstyle = CONSTANT;
}
t_stop = atof(arg[5]);
t_window = atof(arg[6]);
fraction = atof(arg[7]);
t_stop = force->numeric(FLERR,arg[5]);
t_window = force->numeric(FLERR,arg[6]);
fraction = force->numeric(FLERR,arg[7]);
// create a new compute temp
// id = fix-ID + temp, compute group = fix group