diff --git a/src/KOKKOS/pair_sw_kokkos.cpp b/src/KOKKOS/pair_sw_kokkos.cpp index 59949551f6..40d9d864ae 100644 --- a/src/KOKKOS/pair_sw_kokkos.cpp +++ b/src/KOKKOS/pair_sw_kokkos.cpp @@ -339,7 +339,7 @@ void PairSWKokkos::operator()(TagPairSWComputeHalf if (rsq2 >= d_params[ikparam].cutsq) continue; - threebody(d_params[ijparam],d_params[ikparam],d_params[ijkparam], + threebody_kk(d_params[ijparam],d_params[ikparam],d_params[ijkparam], rsq1,rsq2,delr1,delr2,fj,fk,eflag,evdwl); fxtmpi -= fj[0] + fk[0]; @@ -457,7 +457,7 @@ void PairSWKokkos::operator()(TagPairSWComputeFullA= d_params[ikparam].cutsq) continue; - threebody(d_params[ijparam],d_params[ikparam],d_params[ijkparam], + threebody_kk(d_params[ijparam],d_params[ikparam],d_params[ijkparam], rsq1,rsq2,delr1,delr2,fj,fk,eflag,evdwl); fxtmpi -= fj[0] + fk[0]; @@ -542,7 +542,7 @@ void PairSWKokkos::operator()(TagPairSWComputeFullB= d_params[jkparam].cutsq) continue; if (vflag_atom) - threebody(d_params[jiparam],d_params[jkparam],d_params[jikparam], + threebody_kk(d_params[jiparam],d_params[jkparam],d_params[jikparam], rsq1,rsq2,delr1,delr2,fj,fk,eflag,evdwl); else threebodyj(d_params[jiparam],d_params[jkparam],d_params[jikparam], @@ -686,7 +686,7 @@ void PairSWKokkos::twobody(const Param& param, const F_FLOAT& rsq, F template KOKKOS_INLINE_FUNCTION -void PairSWKokkos::threebody(const Param& paramij, const Param& paramik, const Param& paramijk, +void PairSWKokkos::threebody_kk(const Param& paramij, const Param& paramik, const Param& paramijk, const F_FLOAT& rsq1, const F_FLOAT& rsq2, F_FLOAT *delr1, F_FLOAT *delr2, F_FLOAT *fj, F_FLOAT *fk, const int& eflag, F_FLOAT& eng) const diff --git a/src/KOKKOS/pair_sw_kokkos.h b/src/KOKKOS/pair_sw_kokkos.h index 2ad5f5c368..1259ddf71e 100644 --- a/src/KOKKOS/pair_sw_kokkos.h +++ b/src/KOKKOS/pair_sw_kokkos.h @@ -118,8 +118,8 @@ class PairSWKokkos : public PairSW { void twobody(const Param&, const F_FLOAT&, F_FLOAT&, const int&, F_FLOAT&) const; KOKKOS_INLINE_FUNCTION - void threebody(const Param&, const Param&, const Param&, const F_FLOAT&, const F_FLOAT&, F_FLOAT *, F_FLOAT *, - F_FLOAT *, F_FLOAT *, const int&, F_FLOAT&) const; + void threebody_kk(const Param&, const Param&, const Param&, const F_FLOAT&, const F_FLOAT&, F_FLOAT *, F_FLOAT *, + F_FLOAT *, F_FLOAT *, const int&, F_FLOAT&) const; KOKKOS_INLINE_FUNCTION void threebodyj(const Param&, const Param&, const Param&, const F_FLOAT&, const F_FLOAT&, F_FLOAT *, F_FLOAT *,