ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
This commit is contained in:
sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
Download Patch File Download Diff File Expand all files Collapse all files

12
src/fix_langevin.cpp
View File

@ -66,14 +66,14 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
tstr = new char[n];
strcpy(tstr,&arg[3][2]);
} else {
t_start = atof(arg[3]);
t_start = force->numeric(FLERR,arg[3]);
t_target = t_start;
tstyle = CONSTANT;
}
t_stop = atof(arg[4]);
t_period = atof(arg[5]);
int seed = atoi(arg[6]);
t_stop = force->numeric(FLERR,arg[4]);
t_period = force->numeric(FLERR,arg[5]);
int seed = force->inumeric(FLERR,arg[6]);
if (t_period <= 0.0) error->all(FLERR,"Fix langevin period must be > 0.0");
if (seed <= 0) error->all(FLERR,"Illegal fix langevin command");
@ -118,8 +118,8 @@ FixLangevin::FixLangevin(LAMMPS *lmp, int narg, char **arg) :
iarg += 2;
} else if (strcmp(arg[iarg],"scale") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal fix langevin command");
int itype = atoi(arg[iarg+1]);
double scale = atof(arg[iarg+2]);
int itype = force->inumeric(FLERR,arg[iarg+1]);
double scale = force->numeric(FLERR,arg[iarg+2]);
if (itype <= 0 || itype > atom->ntypes)
error->all(FLERR,"Illegal fix langevin command");
ratio[itype] = scale;