diff --git a/doc/src/Howto_barostat.rst b/doc/src/Howto_barostat.rst index 0c25e2c53c..89ff4d183f 100644 --- a/doc/src/Howto_barostat.rst +++ b/doc/src/Howto_barostat.rst @@ -10,20 +10,21 @@ and/or pressure (P) is specified by the user, and the thermostat or barostat attempts to equilibrate the system to the requested T and/or P. -Barostatting in LAMMPS is performed by :doc:`fixes `. Two +Barostatting in LAMMPS is performed by :doc:`fixes `. Three barostatting methods are currently available: Nose-Hoover (npt and -nph) and Berendsen: +nph), Berendsen, and various linear controllers in deform/pressure: * :doc:`fix npt ` * :doc:`fix npt/sphere ` * :doc:`fix npt/asphere ` * :doc:`fix nph ` * :doc:`fix press/berendsen ` +* :doc:`fix deform/pressure ` The :doc:`fix npt ` commands include a Nose-Hoover thermostat and barostat. :doc:`Fix nph ` is just a Nose/Hoover barostat; -it does no thermostatting. Both :doc:`fix nph ` and :doc:`fix press/berendsen ` can be used in conjunction -with any of the thermostatting fixes. +it does no thermostatting. The fixes :doc:`nph `, :doc:`press/berendsen `, and :doc:`deform/pressure ` +can be used in conjunction with any of the thermostatting fixes. As with the :doc:`thermostats `, :doc:`fix npt ` and :doc:`fix nph ` only use translational motion of the @@ -44,9 +45,9 @@ a temperature or pressure compute to a barostatting fix. .. note:: As with the thermostats, the Nose/Hoover methods (:doc:`fix npt ` and :doc:`fix nph `) perform time integration. - :doc:`Fix press/berendsen ` does NOT, so it should - be used with one of the constant NVE fixes or with one of the NVT - fixes. + :doc:`Fix press/berendsen ` and :doc:`fix deform/pressure ` + do NOT, so they should be used with one of the constant NVE fixes or with + one of the NVT fixes. Thermodynamic output, which can be setup via the :doc:`thermo_style ` command, often includes pressure