From 4b1914aa1f29a85bb5e4341d5f66be694732ecdc Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer 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 , 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;