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