diff --git a/src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp index b5878dfe3d..88d9e11315 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp +++ b/src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp @@ -41,6 +41,7 @@ using namespace LAMMPS_NS; PairLJCharmmCoulPPPMOMP::PairLJCharmmCoulPPPMOMP(LAMMPS *lmp) : PairLJCharmmCoulLong(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY) { + proxyflag = 1; suffix_flag |= Suffix::OMP; respa_enable = 0; nproxy=1; @@ -55,9 +56,6 @@ void PairLJCharmmCoulPPPMOMP::init_style() if (comm->nthreads < 2) error->all(FLERR,"need at least two threads per MPI task for this pair style"); - if (strcmp(force->kspace_style,"pppm/proxy") != 0) - error->all(FLERR,"kspace style pppm/proxy is required with this pair style"); - kspace = static_cast(force->kspace); PairLJCharmmCoulLong::init_style(); diff --git a/src/USER-OMP/pair_lj_class2_coul_pppm_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_pppm_omp.cpp index 1b0ca0ec7d..c6cee5be17 100644 --- a/src/USER-OMP/pair_lj_class2_coul_pppm_omp.cpp +++ b/src/USER-OMP/pair_lj_class2_coul_pppm_omp.cpp @@ -41,6 +41,7 @@ using namespace LAMMPS_NS; PairLJClass2CoulPPPMOMP::PairLJClass2CoulPPPMOMP(LAMMPS *lmp) : PairLJClass2CoulLong(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY) { + proxyflag = 1; suffix_flag |= Suffix::OMP; respa_enable = 0; nproxy=1; @@ -55,9 +56,6 @@ void PairLJClass2CoulPPPMOMP::init_style() if (comm->nthreads < 2) error->all(FLERR,"need at least two threads per MPI task for this pair style"); - if (strcmp(force->kspace_style,"pppm/proxy") != 0) - error->all(FLERR,"kspace style pppm/proxy is required with this pair style"); - kspace = static_cast(force->kspace); PairLJClass2CoulLong::init_style(); diff --git a/src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp index 093f8d0216..fdd18711b1 100644 --- a/src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp @@ -41,6 +41,7 @@ using namespace LAMMPS_NS; PairLJCutCoulPPPMOMP::PairLJCutCoulPPPMOMP(LAMMPS *lmp) : PairLJCutCoulLong(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY) { + proxyflag = 1; suffix_flag |= Suffix::OMP; respa_enable = 0; nproxy=1; @@ -55,9 +56,6 @@ void PairLJCutCoulPPPMOMP::init_style() if (comm->nthreads < 2) error->all(FLERR,"need at least two threads per MPI task for this pair style"); - if (strcmp(force->kspace_style,"pppm/proxy") != 0) - error->all(FLERR,"kspace style pppm/proxy is required with this pair style"); - kspace = static_cast(force->kspace); PairLJCutCoulLong::init_style(); diff --git a/src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp index ebdd8eeab7..c674878835 100644 --- a/src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp +++ b/src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp @@ -43,6 +43,7 @@ using namespace LAMMPS_NS; PairLJCutCoulPPPMTIP4POMP::PairLJCutCoulPPPMTIP4POMP(LAMMPS *lmp) : PairLJCutCoulLongTIP4P(lmp), ThrOMP(lmp, THR_PAIR|THR_PROXY) { + proxyflag = 1; suffix_flag |= Suffix::OMP; respa_enable = 0; nproxy=1; @@ -62,9 +63,6 @@ void PairLJCutCoulPPPMTIP4POMP::init_style() if (comm->nthreads < 2) error->all(FLERR,"need at least two threads per MPI task for this pair style"); - if (strcmp(force->kspace_style,"pppm/tip4p/proxy") != 0) - error->all(FLERR,"kspace style pppm/tip4p/proxy is required with this pair style"); - kspace = static_cast(force->kspace); PairLJCutCoulLongTIP4P::init_style();