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Remove unused header files and add affiliation

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This commit is contained in:
Navraj Lalli
2025-03-19 11:22:04 +00:00
parent 5bcfc35cd1
commit bb8b6590d5
2 changed files with 1 additions and 12 deletions
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11
src/REAXFF/fix_qeqr_reaxff.cpp
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@ -22,19 +22,10 @@
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "error.h"
#include "fix_efield.h"
#include "force.h"
#include "group.h"
#include "modify.h"
#include "neigh_list.h"
#include "neighbor.h"
#include "pair.h"
#include "region.h"
#include "respa.h"
#include "text_file_reader.h"
#include "update.h"
#include "pair_reaxff.h"
#include "reaxff_api.h"
@ -45,8 +36,6 @@
using namespace LAMMPS_NS;
using namespace FixConst;
static constexpr double CONV_TO_EV = 14.4;
static constexpr double QSUMSMALL = 0.00001;
static constexpr double ANGSTROM_TO_BOHRRADIUS = 1.8897261259;
/* ---------------------------------------------------------------------- */

2
src/REAXFF/fix_qtpie_reaxff.cpp
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@ -16,7 +16,7 @@
Contributing authors:
Efstratios M Kritikos, California Institute of Technology
(Implemented original version in LAMMMPS Aug 2019)
Navraj S Lalli, Imperial College London
Navraj S Lalli, Imperial College London (navrajsinghlalli@gmail.com)
(Reimplemented QTPIE as a new fix in LAMMPS Aug 2024 and extended functionality)
------------------------------------------------------------------------- */