add citeme

This commit is contained in:
Jacob Gissinger
2024-05-12 18:40:48 -04:00
parent d1fe92c658
commit def7c40ece

View File

@ -14,6 +14,7 @@
#include "label_map.h"
#include "atom.h"
#include "citeme.h"
#include "comm.h"
#include "error.h"
#include "force.h"
@ -22,6 +23,19 @@
using namespace LAMMPS_NS;
static const char cite_type_label_framework[] =
"Type Label Framework: https://doi.org/10.1021/acs.jpcb.3c08419\n\n"
"@Article{Gissinger24,\n"
" author = {Jacob R. Gissinger, Ilia Nikiforov, Yaser Afshar, Brendon Waters, Moon-ki Choi,"
" Daniel S. Karls, Alexander Stukowski, Wonpil Im, Hendrik Heinz, Axel Kohlmeyer, and Ellad B. Tadmor},\n"
" title = {Type Label Framework for Bonded Force Fields in LAMMPS},\n"
" journal = {J. Phys. Chem. B},\n"
" year = 2024,\n"
" volume = 128,\n"
" number = 13,\n"
" pages = {3282-3297}\n"
"}\n\n";
/* ---------------------------------------------------------------------- */
LabelMap::LabelMap(LAMMPS *_lmp, int _natomtypes, int _nbondtypes, int _nangletypes,
@ -30,6 +44,8 @@ LabelMap::LabelMap(LAMMPS *_lmp, int _natomtypes, int _nbondtypes, int _nanglety
natomtypes(_natomtypes), nbondtypes(_nbondtypes), nangletypes(_nangletypes),
ndihedraltypes(_ndihedraltypes), nimpropertypes(_nimpropertypes)
{
if (lmp->citeme) lmp->citeme->add(cite_type_label_framework);
lmap2lmap.atom = lmap2lmap.bond = lmap2lmap.angle = lmap2lmap.dihedral = lmap2lmap.improper =
nullptr;
reset_type_labels();