forked from lijiext/lammps
update citations for multi-element edip potential
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# DATE: 2017-05-16 CONTRIBUTOR: Laurent Pizzagalli CITATION: G. Lucas, M. Bertolus, and L. Pizzagalli, J. Phys. : Condens. Matter 22, 035802 (2010)
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# DATE: 2017-05-16 CONTRIBUTOR: Chao Jiang <chaopsu@gmail.com>, Phys. Rev. B 86, 144118 (2012)
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# element 1, element 2, element 3,
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# A B cutoffA cutoffC alpha beta eta
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# gamma lambda mu rho sigma Q0
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@ -31,16 +31,39 @@
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#include "comm.h"
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#include "memory.h"
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#include "error.h"
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#include "citeme.h"
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using namespace LAMMPS_NS;
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#define MAXLINE 1024
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#define DELTA 4
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static const char cite_pair_edip[] =
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"@article{cjiang2012\n"
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" author = {Jian, Chao and Morgan, Dane, and Szlufarska, Izabella},\n"
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" title = {Carbon tri-interstitial defect: A model for DII center},\n"
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" journal = {Physical Review B},\n"
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" volume = {86},\n"
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" pages = {144118},\n"
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" year = {2012},\n"
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"}\n\n"
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"@article{lpizzagalli2010,\n"
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" author = {G. Lucas, M. Bertolus, and L. Pizzagalli},\n"
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" journal = {J. Phys. : Condens. Matter 22},\n"
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" volume = {22},\n"
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" pages = {035802},\n"
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" year = {2010},\n"
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"}\n\n";
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/* ---------------------------------------------------------------------- */
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PairEDIPMulti::PairEDIPMulti(LAMMPS *lmp) : Pair(lmp)
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{
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if (lmp->citeme) lmp->citeme->add(cite_pair_edip);
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single_enable = 0;
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restartinfo = 0;
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one_coeff = 1;
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