From 4b1914aa1f29a85bb5e4341d5f66be694732ecdc Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 18 May 2017 01:07:52 -0400
Subject: [PATCH] update citations for multi-element edip potential
---
potentials/SiC.edip | 2 +-
src/USER-MISC/pair_edip_multi.cpp | 23 +++++++++++++++++++++++
2 files changed, 24 insertions(+), 1 deletion(-)
diff --git a/potentials/SiC.edip b/potentials/SiC.edip
index 0485d345bb..a38f30d974 100644
--- a/potentials/SiC.edip
+++ b/potentials/SiC.edip
@@ -1,4 +1,4 @@
-# DATE: 2017-05-16 CONTRIBUTOR: Laurent Pizzagalli CITATION: G. Lucas, M. Bertolus, and L. Pizzagalli, J. Phys. : Condens. Matter 22, 035802 (2010)
+# DATE: 2017-05-16 CONTRIBUTOR: Chao Jiang <chaopsu@gmail.com>, Phys. Rev. B 86, 144118 (2012)
# element 1, element 2, element 3,
# A B cutoffA cutoffC alpha beta eta
# gamma lambda mu rho sigma Q0
diff --git a/src/USER-MISC/pair_edip_multi.cpp b/src/USER-MISC/pair_edip_multi.cpp
index ad6d48eb7f..d52b2e4a47 100644
--- a/src/USER-MISC/pair_edip_multi.cpp
+++ b/src/USER-MISC/pair_edip_multi.cpp
@@ -31,16 +31,39 @@
#include "comm.h"
#include "memory.h"
#include "error.h"
+#include "citeme.h"
using namespace LAMMPS_NS;
#define MAXLINE 1024
#define DELTA 4
+
+static const char cite_pair_edip[] =
+ "@article{cjiang2012\n"
+ " author = {Jian, Chao and Morgan, Dane, and Szlufarska, Izabella},\n"
+ " title = {Carbon tri-interstitial defect: A model for DII center},\n"
+ " journal = {Physical Review B},\n"
+ " volume = {86},\n"
+ " pages = {144118},\n"
+ " year = {2012},\n"
+ "}\n\n"
+ "@article{lpizzagalli2010,\n"
+ " author = {G. Lucas, M. Bertolus, and L. Pizzagalli},\n"
+ " journal = {J. Phys. : Condens. Matter 22},\n"
+ " volume = {22},\n"
+ " pages = {035802},\n"
+ " year = {2010},\n"
+ "}\n\n";
+
+
+
/* ---------------------------------------------------------------------- */
PairEDIPMulti::PairEDIPMulti(LAMMPS *lmp) : Pair(lmp)
{
+ if (lmp->citeme) lmp->citeme->add(cite_pair_edip);
+
single_enable = 0;
restartinfo = 0;
one_coeff = 1;
--
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