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clarify fix nve impact

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Axel Kohlmeyer
2021-07-04 19:21:09 -04:00
parent 455b7b9392
commit f84ab6f26b
1 changed files with 5 additions and 4 deletions
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doc/src/fix_nve.rst
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@ -29,10 +29,11 @@ Examples
Description
"""""""""""
Perform constant NVE integration to update position and velocity for
atoms in the group each timestep. V is volume; E is energy. This
creates a system trajectory consistent with the microcanonical
ensemble.
Perform plain time integration to update position and velocity for
atoms in the group each timestep. This creates a system trajectory
consistent with the microcanonical ensemble (NVE) provided there
are (full) periodic boundary conditions and no other "manipulations"
of the system (e.g. fixes that modify forces or velocities).
----------