From b04cc115f3668e7ce1a3e18ffdd04c3f0d7ccb7b Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 27 Apr 2020 10:51:53 -0400 Subject: [PATCH] document the image flag reset for switching boundaries --- doc/src/change_box.rst | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/doc/src/change_box.rst b/doc/src/change_box.rst index 313ac1a0b9..a21f74e93b 100644 --- a/doc/src/change_box.rst +++ b/doc/src/change_box.rst @@ -299,6 +299,12 @@ match what is stored in the restart file. So if you wish to change them, you should use the change_box command after the read_restart command. +.. note:: + + Changing a periodic boundary to a non-periodic one will also + cause the image flag for that dimension to be reset to 0 for + all atoms. LAMMPS will print a warning message, if that happens. + ---------- The *ortho* and *triclinic* keywords convert the simulation box to be