From f6d94a95dddc33e7407e256e79374a69044fc01f Mon Sep 17 00:00:00 2001 From: Yifan Li Date: Mon, 27 Mar 2023 22:45:14 -0400 Subject: [PATCH] fix whitespace in fix pimd doc --- doc/src/fix_pimd.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/src/fix_pimd.rst b/doc/src/fix_pimd.rst index e4a59b0078..1767acb134 100644 --- a/doc/src/fix_pimd.rst +++ b/doc/src/fix_pimd.rst @@ -106,7 +106,7 @@ thermostats in each chain. For example, for a simulation of N particles with P beads in each ring-polymer, the total number of NH thermostats would be 3 x N x P x Nc. -Fix *pimd/langevin* implements a Langevin thermostat in the normal mode +Fix *pimd/langevin* implements a Langevin thermostat in the normal mode representation, and also provides a barostat to sample the NPH/NPT ensembles. .. note:: @@ -273,7 +273,7 @@ related tasks for each of the partitions, e.g. forces in the normal mode representation. If the Catersian velocities and forces are needed, it is easy to perform the transformation when doing post-processing. - It is recommended to dump the image flags (*ix iy iz*) for fix *pimd/langevin*. It + It is recommended to dump the image flags (*ix iy iz*) for fix *pimd/langevin*. It will be useful if you want to calculate some estimators during post-processing. Restart, fix_modify, output, run start/stop, minimize info