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add support for bond/angle/dihedral/improper plugins

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This commit is contained in:
Axel Kohlmeyer
2021-03-18 14:40:41 -04:00
parent ddc77be911
commit 9b29b1594b
17 changed files with 1323 additions and 84 deletions
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78
examples/plugins/zero2plugin.cpp Normal file
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#include "lammpsplugin.h"
#include "version.h"
#include <cstring>
#include "pair_zero2.h"
#include "bond_zero2.h"
#include "angle_zero2.h"
#include "dihedral_zero2.h"
#include "improper_zero2.h"
using namespace LAMMPS_NS;
static Pair *pairzerocreator(LAMMPS *lmp)
{
return new PairZero2(lmp);
}
static Bond *bondzerocreator(LAMMPS *lmp)
{
return new BondZero2(lmp);
}
static Angle *anglezerocreator(LAMMPS *lmp)
{
return new AngleZero2(lmp);
}
static Dihedral *dihedralzerocreator(LAMMPS *lmp)
{
return new DihedralZero2(lmp);
}
static Improper *improperzerocreator(LAMMPS *lmp)
{
return new ImproperZero2(lmp);
}
extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc)
{
lammpsplugin_t plugin;
lammpsplugin_regfunc register_plugin = (lammpsplugin_regfunc) regfunc;
// register zero2 pair style
plugin.version = LAMMPS_VERSION;
plugin.style = "pair";
plugin.name = "zero2";
plugin.info = "Zero2 variant pair style v1.0";
plugin.author = "Axel Kohlmeyer (akohlmey@gmail.com)";
plugin.creator.v1 = (lammpsplugin_factory1 *) &pairzerocreator;
plugin.handle = handle;
(*register_plugin)(&plugin,lmp);
// register zero2 bond style
plugin.style = "bond";
plugin.info = "Zero2 variant bond style v1.0";
plugin.creator.v1 = (lammpsplugin_factory1 *) &bondzerocreator;
(*register_plugin)(&plugin,lmp);
// register zero2 angle style
plugin.style = "angle";
plugin.info = "Zero2 variant angle style v1.0";
plugin.creator.v1 = (lammpsplugin_factory1 *) &anglezerocreator;
(*register_plugin)(&plugin,lmp);
// register zero2 dihedral style
plugin.style = "dihedral";
plugin.info = "Zero2 variant dihedral style v1.0";
plugin.creator.v1 = (lammpsplugin_factory1 *) &dihedralzerocreator;
(*register_plugin)(&plugin,lmp);
// register zero2 improper style
plugin.style = "improper";
plugin.info = "Zero2 variant improper style v1.0";
plugin.creator.v1 = (lammpsplugin_factory1 *) &improperzerocreator;
(*register_plugin)(&plugin,lmp);
}