From 1d04d83b1eda3e8be198b6d45ea2596ac5728c09 Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Tue, 7 Jul 2015 23:58:59 +0000
Subject: [PATCH] Added protection against using charges without full_energy
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13539 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
doc/fix_gcmc.html | 3 ++-
doc/fix_gcmc.txt | 3 ++-
2 files changed, 4 insertions(+), 2 deletions(-)
diff --git a/doc/fix_gcmc.html b/doc/fix_gcmc.html
index 61aba84713..1420ebd924 100644
--- a/doc/fix_gcmc.html
+++ b/doc/fix_gcmc.html
@@ -218,7 +218,8 @@ potential energy calculations, including the following:
<LI> many-body pair styles
<LI> hybrid pair styles
<LI> eam pair styles
-<LI> triclinic systems
+<LI> triclinic systems
+<LI> charged systems (b/c single() function for Coulombic pair styles requires an atom index to look up charges)
<LI> need to include potential energy contributions from other fixes
</UL>
<P>In these cases, LAMMPS will automatically apply the <I>full_energy</I>
diff --git a/doc/fix_gcmc.txt b/doc/fix_gcmc.txt
index 9b4dd3b2e9..5d94f0576d 100644
--- a/doc/fix_gcmc.txt
+++ b/doc/fix_gcmc.txt
@@ -203,7 +203,8 @@ potential energy calculations, including the following:
many-body pair styles
hybrid pair styles
eam pair styles
- triclinic systems
+ triclinic systems
+ charged systems (b/c single() function for Coulombic pair styles requires an atom index to look up charges)
need to include potential energy contributions from other fixes :ul
In these cases, LAMMPS will automatically apply the {full_energy}
--
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