#include "lammpsplugin.h" #include "version.h" #include "pair_pace.h" #include "pair_pace_extrapolation.h" #include "compute_pace.h" using namespace LAMMPS_NS; static Pair *pair_pace_creator(LAMMPS *lmp) { return new PairPACE(lmp); } static Pair *pair_pace_extrapolation_creator(LAMMPS *lmp) { return new PairPACEExtrapolation(lmp); } static Compute *compute_pace_creator(LAMMPS *lmp, int argc, char **argv) { return new ComputePACE(lmp, argc, argv); } extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc) { lammpsplugin_t plugin; lammpsplugin_regfunc register_plugin = (lammpsplugin_regfunc) regfunc; // register pace pair style plugin.version = LAMMPS_VERSION; plugin.style = "pair"; plugin.name = "pace"; plugin.info = "PACE plugin pair style v1.0"; plugin.author = "Axel Kohlmeyer (akohlmey@gmail.com)"; plugin.creator.v1 = (lammpsplugin_factory1 *) &pair_pace_creator; plugin.handle = handle; (*register_plugin)(&plugin, lmp); // register pace/extrapolation pair style plugin.version = LAMMPS_VERSION; plugin.style = "pair"; plugin.name = "pace/extrapolation"; plugin.info = "PACE plugin extrapolation pair style v1.0"; plugin.author = "Axel Kohlmeyer (akohlmey@gmail.com)"; plugin.creator.v1 = (lammpsplugin_factory1 *) &pair_pace_extrapolation_creator; plugin.handle = handle; (*register_plugin)(&plugin, lmp); // register pace compute style plugin.version = LAMMPS_VERSION; plugin.style = "compute"; plugin.name = "pace"; plugin.info = "PACE plugin compute style v1.0"; plugin.author = "Axel Kohlmeyer (akohlmey@gmail.com)"; plugin.creator.v2 = (lammpsplugin_factory2 *) &compute_pace_creator; plugin.handle = handle; (*register_plugin)(&plugin, lmp); }