From f84ab6f26b3c288c4e2137837cfcb44e80b0964d Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 4 Jul 2021 19:21:09 -0400 Subject: [PATCH] clarify fix nve impact --- doc/src/fix_nve.rst | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/doc/src/fix_nve.rst b/doc/src/fix_nve.rst index ae472b1a38..da2184c99f 100644 --- a/doc/src/fix_nve.rst +++ b/doc/src/fix_nve.rst @@ -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). ----------