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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15151 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-06-07 18:26:15 +00:00
parent ab7e896a76
commit 3497d6382c
2 changed files with 6 additions and 4 deletions
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7
src/ASPHERE/fix_nph_asphere.cpp
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@ -25,7 +25,8 @@ FixNPHAsphere::FixNPHAsphere(LAMMPS *lmp, int narg, char **arg) :
FixNHAsphere(lmp, narg, arg)
{
if (tstat_flag)
error->all(FLERR,"Temperature control can not be used with fix nph/asphere");
error->all(FLERR,"Temperature control can not be used "
"with fix nph/asphere");
if (!pstat_flag)
error->all(FLERR,"Pressure control must be used with fix nph/asphere");
@ -46,7 +47,7 @@ FixNPHAsphere::FixNPHAsphere(LAMMPS *lmp, int narg, char **arg) :
modify->add_compute(3,newarg);
delete [] newarg;
tflag = 1;
tcomputeflag = 1;
// create a new compute pressure style
// id = fix-ID + press, compute group = all
@ -64,5 +65,5 @@ FixNPHAsphere::FixNPHAsphere(LAMMPS *lmp, int narg, char **arg) :
newarg[3] = id_temp;
modify->add_compute(4,newarg);
delete [] newarg;
pflag = 1;
pcomputeflag = 1;
}

3
src/fix_nh.h
View File

@ -76,7 +76,8 @@ class FixNH : public Fix {
char *id_temp,*id_press;
class Compute *temperature,*pressure;
int tcomputeflag,pcomputeflag; // 1 = compute was created by fix. 0 = external
int tcomputeflag,pcomputeflag; // 1 = compute was created by fix
// 0 = created externally
double *eta,*eta_dot; // chain thermostat for particles
double *eta_dotdot;