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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-08-25 16:01:17 +00:00
parent 508ea4a575
commit 4ea728dc80
18 changed files with 73 additions and 52 deletions
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12
src/MISC/fix_gld.cpp
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@ -57,16 +57,16 @@ FixGLD::FixGLD(LAMMPS *lmp, int narg, char **arg) :
// 1 = Group ID (e.g., all)
// 2 = gld (name of this fix)
// 3 = t_start (Starting target temperature)
t_start = atof(arg[3]);
t_start = force->numeric(FLERR,arg[3]);
// 4 = t_stop (Stopping target temperature)
t_stop = atof(arg[4]);
t_stop = force->numeric(FLERR,arg[4]);
// 5 = prony_terms (number of terms in Prony series)
prony_terms = atoi(arg[5]);
prony_terms = force->inumeric(FLERR,arg[5]);
// 6 = seed (random seed)
int seed = atoi(arg[6]);
int seed = force->inumeric(FLERR,arg[6]);
// 7 = series type
if(strcmp(arg[7],"pprony") == 0) {
@ -101,8 +101,8 @@ FixGLD::FixGLD(LAMMPS *lmp, int narg, char **arg) :
int iarg = narg_min;
int icoeff = 0;
while (iarg < narg && icoeff < prony_terms) {
double pc = atof(arg[iarg]);
double ptau = atof(arg[iarg+1]);
double pc = force->numeric(FLERR,arg[iarg]);
double ptau = force->numeric(FLERR,arg[iarg+1]);
if (pc < 0)
error->all(FLERR,"Fix gld c coefficients must be >= 0");