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update citations for multi-element edip potential

This commit is contained in:
Axel Kohlmeyer 2017-05-18 01:07:52 -04:00
parent 8936b99e9f
commit 4b1914aa1f
2 changed files with 24 additions and 1 deletions
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2
potentials/SiC.edip
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@ -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

23
src/USER-MISC/pair_edip_multi.cpp
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@ -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;