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Merge pull request #3220 from athomps/specify-verlet

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Explcitly state that fix nve uses velocity-Verlet integrator
This commit is contained in:
Axel Kohlmeyer
2022-04-22 23:10:48 -04:00
committed by GitHub
parent 8115e8a5a4 1319cb2cf5
commit cbefeeb677
2 changed files with 7 additions and 2 deletions
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6
doc/src/fix_nve.rst
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@ -35,6 +35,10 @@ consistent with the microcanonical ensemble (NVE) provided there
are (full) periodic boundary conditions and no other "manipulations" are (full) periodic boundary conditions and no other "manipulations"
of the system (e.g. fixes that modify forces or velocities). of the system (e.g. fixes that modify forces or velocities).
This fix invokes the velocity form of the
Störmer-Verlet time integration algorithm (velocity-Verlet). Other
time integration options can be invoked using the :doc:`run_style <run_style>` command.
---------- ----------
.. include:: accel_styles.rst .. include:: accel_styles.rst
@ -57,7 +61,7 @@ Restrictions
Related commands Related commands
"""""""""""""""" """"""""""""""""
:doc:`fix nvt <fix_nh>`, :doc:`fix npt <fix_nh>` :doc:`fix nvt <fix_nh>`, :doc:`fix npt <fix_nh>`, :doc:`run_style <run_style>`
Default Default
""""""" """""""

3
doc/src/run_style.rst
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@ -67,7 +67,8 @@ Description
Choose the style of time integrator used for molecular dynamics Choose the style of time integrator used for molecular dynamics
simulations performed by LAMMPS. simulations performed by LAMMPS.
The *verlet* style is a standard velocity-Verlet integrator. The *verlet* style is the velocity form of the
Störmer-Verlet time integration algorithm (velocity-Verlet)
---------- ----------