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add kspace pppm/dplr to lmp plugin library #1603

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Merged
wanghan-iapcm merged 2 commits into from
Mar 29, 2022
Merged

add kspace pppm/dplr to lmp plugin library #1603

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a68baa4
add kspace pppm/dplr to lmp plugin library
njzjz Mar 26, 2022
bdfbfe1
update LAMMPS_VERSION_NUMBER
njzjz Mar 28, 2022
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19 changes: 19 additions & 0 deletions source/lmp/plugin/deepmdplugin.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,9 @@
#include "pair_deepmd.h"
#include "fix_dplr.h"
#include "compute_deeptensor_atom.h"
#if LAMMPS_VERSION_NUMBER>=20220328
#include "pppm_dplr.h"
#endif

using namespace LAMMPS_NS;

Expand All @@ -24,6 +27,13 @@ static Fix *fixdplr(LAMMPS *lmp, int narg, char **arg)
return new FixDPLR(lmp, narg, arg);
}

#if LAMMPS_VERSION_NUMBER>=20220328
static KSpace *pppmdplr(LAMMPS *lmp)
{
return new PPPMDPLR(lmp);
}
#endif

extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc)
{
lammpsplugin_t plugin;
Expand All @@ -49,4 +59,13 @@ extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc)
plugin.info = "fix dplr v2.0";
plugin.creator.v1 = (lammpsplugin_factory1 *) &fixdplr;
(*register_plugin)(&plugin, lmp);

#if LAMMPS_VERSION_NUMBER>=20220328
// lammps/lammps#
plugin.style = "kspace";
plugin.name = "pppm/dplr";
plugin.info = "kspace pppm/dplr v2.0";
plugin.creator.v1 = (lammpsplugin_factory1 *) &pppmdplr;
(*register_plugin)(&plugin, lmp);
#endif
}