From fcf9607a666616f53cd2d03445e76fb619dae85c Mon Sep 17 00:00:00 2001
From: Max Veit <maxdveit@gmail.com>
Date: Wed, 19 Jul 2017 17:47:21 +0100
Subject: [PATCH] Update USER_QUIP docs to clarify use of "special_bonds"
---
doc/src/pair_quip.txt | 8 ++++++++
1 file changed, 8 insertions(+)
diff --git a/doc/src/pair_quip.txt b/doc/src/pair_quip.txt
index 12dcd244e2..fbc87d61ac 100644
--- a/doc/src/pair_quip.txt
+++ b/doc/src/pair_quip.txt
@@ -80,6 +80,14 @@ LAMMPS"_Section_start.html#start_3 section for more info.
QUIP potentials are parametrized in electron-volts and Angstroms and
therefore should be used with LAMMPS metal "units"_units.html.
+QUIP potentials are generally not designed to work with the scaling
+factors set by the "special_bonds"_special_bonds.html command. The
+recommended setting in molecular systems is to include all
+interactions, i.e. to use {special_bonds lj 1.0 1.0 1.0}. The only
+exception to this rule is if you know that your QUIP potential needs
+to exclude bonded, 1-3, or 1-4 interactions and does not already do
+this exclusion within QUIP.
+
[Related commands:]
"pair_coeff"_pair_coeff.html
--
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