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remove ecouple variable from Fix

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Plimpton
2021-01-21 11:56:33 -07:00
parent 182eb35f1a
commit 6e3b9307a4
8 changed files with 39 additions and 36 deletions
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6
src/fix_nh.cpp
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@ -51,7 +51,8 @@ enum{ISO,ANISO,TRICLINIC};
FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
rfix(nullptr), id_dilate(nullptr), irregular(nullptr), id_temp(nullptr), id_press(nullptr),
rfix(nullptr), id_dilate(nullptr), irregular(nullptr),
id_temp(nullptr), id_press(nullptr),
eta(nullptr), eta_dot(nullptr), eta_dotdot(nullptr),
eta_mass(nullptr), etap(nullptr), etap_dot(nullptr), etap_dotdot(nullptr),
etap_mass(nullptr)
@ -784,7 +785,8 @@ void FixNH::setup(int /*vflag*/)
} else {
t0 = temperature->compute_scalar();
if (t0 < EPSILON)
error->all(FLERR, "Current temperature too close to zero, consider using ptemp setting");
error->all(FLERR,"Current temperature too close to zero, "
"consider using ptemp setting");
}
}
t_target = t0;