@@ -216,9 +216,21 @@ The relaxation rate of the barostat is set by its inertia :math:`W`:
W = (N + 1) k T_\mbox{target} P_\mbox{damp}^2
where :math:`N` is the number of atoms, :math:`k` is the Boltzmann constant, and :math:`T_\mbox{target}` is the target temperature of the barostat :ref:`(Martyna) <nh-Martyna>`. If a thermostat is defined, :math:`T_\mbox{target}` is the target temperature of the thermostat. If a thermostat is not defined, :math:`T_\mbox{target}` is set to the current temperature of the system when the barostat is initialized. If this temperature is too low the simulation will quit with an error. Note: in previous versions of LAMMPS, :math:`T_\mbox{target}` would default to a value of 1.0 for *lj* units and 300.0 otherwise if the system had a temperature of exactly zero.
If a thermostat is not specified by this fix, :math:`T_\mbox{target}` can be manually specified using the *Ptemp* parameter. This may be useful if the barostat is initialized when the current temperature does not reflect the steady state temperature of the system. This keyword may also be useful in athermal simulations where the temperature is not well defined.
where :math:`N` is the number of atoms, :math:`k` is the Boltzmann constant,
and :math:`T_\mbox{target}` is the target temperature of the barostat :ref:`(Martyna) <nh-Martyna>`.
If a thermostat is defined, :math:`T_\mbox{target}` is the target temperature
of the thermostat. If a thermostat is not defined, :math:`T_\mbox{target}`
is set to the current temperature of the system when the barostat is initialized.
If this temperature is too low the simulation will quit with an error.
Note: in previous versions of LAMMPS, :math:`T_\mbox{target}` would default to
a value of 1.0 for *lj* units and 300.0 otherwise if the system had a temperature
of exactly zero.
If a thermostat is not specified by this fix, :math:`T_\mbox{target}` can be
manually specified using the *Ptemp* parameter. This may be useful if the
barostat is initialized when the current temperature does not reflect the
steady state temperature of the system. This keyword may also be useful in
athermal simulations where the temperature is not well defined.
Regardless of what atoms are in the fix group (the only atoms which
are time integrated), a global pressure or stress tensor is computed
