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sync fix temp/rescale to upstream

This commit is contained in:
Axel Kohlmeyer 2018-02-21 10:17:00 +01:00
parent d52c5435a7
commit b252866393
1 changed files with 4 additions and 4 deletions
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8
src/fix_temp_rescale.cpp
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@ -37,18 +37,18 @@ enum{CONSTANT,EQUAL};
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) : FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg) Fix(lmp, narg, arg),
tstr(NULL), id_temp(NULL), tflag(0)
{ {
if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale command"); if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale command");
dynamic_group_allow = 1;
nevery = force->inumeric(FLERR,arg[3]); nevery = force->inumeric(FLERR,arg[3]);
if (nevery <= 0) error->all(FLERR,"Illegal fix temp/rescale command"); if (nevery <= 0) error->all(FLERR,"Illegal fix temp/rescale command");
scalar_flag = 1; scalar_flag = 1;
global_freq = nevery; global_freq = nevery;
extscalar = 1; extscalar = 1;
dynamic_group_allow = 1;
tstr = NULL; tstr = NULL;
if (strstr(arg[4],"v_") == arg[4]) { if (strstr(arg[4],"v_") == arg[4]) {
@ -140,7 +140,7 @@ void FixTempRescale::end_of_step()
if (temperature->dof < 1) return; if (temperature->dof < 1) return;
// protect against division by zero. // protect against division by zero
if (t_current == 0.0) if (t_current == 0.0)
error->all(FLERR,"Computed temperature for fix temp/rescale cannot be 0.0"); error->all(FLERR,"Computed temperature for fix temp/rescale cannot be 0.0");