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refactor LAMMPS plugin building to share more code and to add a demo for ML-PACE

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This commit is contained in:
Axel Kohlmeyer
2022-06-04 10:59:25 -04:00
parent 3beb071d38
commit a232bd3302
12 changed files with 427 additions and 133 deletions
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28
examples/PACKAGES/pace/plugin/paceplugin.cpp Normal file
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#include "lammpsplugin.h"
#include "version.h"
#include "pair_pace.h"
using namespace LAMMPS_NS;
static Pair *pair_pace_creator(LAMMPS *lmp)
{
return new PairPACE(lmp);
}
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);
}