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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@987 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2007-10-09 17:20:33 +00:00
parent 88d8a739fa
commit 1dec0d587b
27 changed files with 360 additions and 175 deletions
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9
src/fix_temp_rescale.cpp
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@ -36,9 +36,13 @@ FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
if (narg < 8) error->all("Illegal fix temp/rescale command");
nevery = atoi(arg[3]);
if (nevery <= 0) error->all("Illegal fix temp/rescale command");
scalar_flag = 1;
scalar_vector_freq = nevery;
t_start = atof(arg[4]);
t_end = atof(arg[5]);
t_window = atof(arg[6]);
@ -223,8 +227,7 @@ int FixTempRescale::modify_param(int narg, char **arg)
/* ---------------------------------------------------------------------- */
double FixTempRescale::thermo(int n)
double FixTempRescale::compute_scalar()
{
if (n == 0) return energy;
else return 0.0;
return energy;
}