pair_hdnnp.cpp File Reference

#include "pair_hdnnp.h"
#include "atom.h"
#include "citeme.h"
#include "comm.h"
#include "error.h"
#include "memory.h"
#include "neigh_list.h"
#include "neighbor.h"
#include "update.h"
#include <cstring>
#include "InterfaceLammps.h"

Include dependency graph for pair_hdnnp.cpp:

Go to the source code of this file.

Variables
static const char	cite_user_hdnnp_package []

Variable Documentation

cite_user_hdnnp_package

const char cite_user_hdnnp_package[]

static

Initial value:

=
    "ML-HDNNP package: doi:10.1021/acs.jctc.8b00770\n\n"
    "@Article{Singraber19,\n"
    " author = {Singraber, Andreas and Behler, J{\"o}rg and Dellago, Christoph},\n"
    " title = {Library-Based {LAMMPS} Implementation of High-Dimensional\n"
    "    Neural Network Potentials},\n"
    " year = {2019},\n"
    " month = mar,\n"
    " volume = {15},\n"
    " pages = {1827--1840},\n"
    " doi = {10.1021/acs.jctc.8b00770},\n"
    " journal = {J.~Chem.\\ Theory Comput.},\n"
    " number = {3}\n"
    "}\n\n"

Definition at line 38 of file pair_hdnnp.cpp.

Referenced by LAMMPS_NS::PairHDNNP::PairHDNNP().