From 451f3f71b81867ca841d7e27765bc0cd64992f48 Mon Sep 17 00:00:00 2001 From: alanhsieh4444 <110726422+alanhsieh4444@users.noreply.github.com> Date: Wed, 8 Mar 2023 13:37:46 +0800 Subject: [PATCH] Update molecule.rst --- doc/src/molecule.rst | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/doc/src/molecule.rst b/doc/src/molecule.rst index 5dcd30f508..c3c578f5ec 100644 --- a/doc/src/molecule.rst +++ b/doc/src/molecule.rst @@ -121,6 +121,11 @@ molecule (header keyword = inertia). ensure space is allocated for storing topology info for molecules that are added later. +---------- + +Format of a molecule file +""""""""""""""""""""" + The format of an individual molecule file is similar but (not identical) to the data file read by the :doc:`read_data ` commands, and is as follows.