diff --git a/source/lmp/plugin/deepmdplugin.cpp b/source/lmp/plugin/deepmdplugin.cpp index bc54b8ea46..a7cc876267 100644 --- a/source/lmp/plugin/deepmdplugin.cpp +++ b/source/lmp/plugin/deepmdplugin.cpp @@ -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; @@ -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; @@ -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 }