diff --git a/src/ATC/fix_atc.cpp b/src/ATC/fix_atc.cpp index 21306e01bd..e6be648c86 100644 --- a/src/ATC/fix_atc.cpp +++ b/src/ATC/fix_atc.cpp @@ -575,7 +575,7 @@ void FixATC::min_setup(int vflag) void FixATC::setup(int /* vflag */) { - comm->forward_comm_fix(this); + comm->forward_comm(this); try { atc_->initialize(); @@ -814,7 +814,7 @@ void FixATC::pre_neighbor() { try { atc_->pre_neighbor(); - comm->forward_comm_fix(this); + comm->forward_comm(this); } catch (ATC::ATC_Error& atcError) { ATC::LammpsInterface::instance()->print_msg(atcError.error_description()); diff --git a/src/ATC/fix_atc.h b/src/ATC/fix_atc.h index cf8c555cac..6b7a5ff8d9 100644 --- a/src/ATC/fix_atc.h +++ b/src/ATC/fix_atc.h @@ -80,12 +80,12 @@ class FixATC : public Fix { atom received from another processor. */ int unpack_exchange(int, double *) override; - /** pack_comm called from comm->forward_comm_fix and + /** pack_comm called from comm->forward_comm and packs fix-specific data for a given ghost atom from exchange with another proc */ int pack_forward_comm(int, int *, double *, int, int *) override; - /** unpack_comm called from comm->forward_comm_fix and + /** unpack_comm called from comm->forward_comm and unpacks fix-specific data for a given ghost atom from exchange with another proc */ void unpack_forward_comm(int, int, double *) override; diff --git a/src/CG-DNA/pair_oxdna_excv.cpp b/src/CG-DNA/pair_oxdna_excv.cpp index f47f92d63c..dfc96be13e 100644 --- a/src/CG-DNA/pair_oxdna_excv.cpp +++ b/src/CG-DNA/pair_oxdna_excv.cpp @@ -174,7 +174,7 @@ void PairOxdnaExcv::compute(int eflag, int vflag) } - comm->forward_comm_pair(this); + comm->forward_comm(this); // loop over pair interaction neighbors of my atoms diff --git a/src/COLLOID/pair_lubricate.cpp b/src/COLLOID/pair_lubricate.cpp index a1d2b13ed0..526f12e54c 100644 --- a/src/COLLOID/pair_lubricate.cpp +++ b/src/COLLOID/pair_lubricate.cpp @@ -148,7 +148,7 @@ void PairLubricate::compute(int eflag, int vflag) // copy updated velocity/omega/angmom to the ghost particles // no need to do this if not shearing since comm->ghost_velocity is set - comm->forward_comm_pair(this); + comm->forward_comm(this); } // This section of code adjusts R0/RT0/RS0 if necessary due to changes diff --git a/src/COLLOID/pair_lubricateU.cpp b/src/COLLOID/pair_lubricateU.cpp index f9fa3b4351..499e998b85 100644 --- a/src/COLLOID/pair_lubricateU.cpp +++ b/src/COLLOID/pair_lubricateU.cpp @@ -249,7 +249,7 @@ void PairLubricateU::stage_one() // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); // Find initial residual @@ -284,7 +284,7 @@ void PairLubricateU::stage_one() // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); compute_RU(); @@ -343,7 +343,7 @@ void PairLubricateU::stage_one() // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); // Find actual particle's velocities from relative velocities // Only non-zero component of fluid's vel : vx=gdot*y and wz=-gdot/2 @@ -433,7 +433,7 @@ void PairLubricateU::stage_two(double **x) // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); // Find initial residual @@ -468,7 +468,7 @@ void PairLubricateU::stage_two(double **x) // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); compute_RU(x); @@ -527,7 +527,7 @@ void PairLubricateU::stage_two(double **x) // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); // Compute the viscosity/pressure diff --git a/src/COLLOID/pair_lubricateU_poly.cpp b/src/COLLOID/pair_lubricateU_poly.cpp index 1449c84ae4..a778cf6d15 100644 --- a/src/COLLOID/pair_lubricateU_poly.cpp +++ b/src/COLLOID/pair_lubricateU_poly.cpp @@ -198,7 +198,7 @@ void PairLubricateUPoly::iterate(double **x, int stage) // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); // Find initial residual @@ -233,7 +233,7 @@ void PairLubricateUPoly::iterate(double **x, int stage) // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); compute_RU(x); @@ -292,7 +292,7 @@ void PairLubricateUPoly::iterate(double **x, int stage) // set velocities for ghost particles - comm->forward_comm_pair(this); + comm->forward_comm(this); // compute the viscosity/pressure diff --git a/src/COLLOID/pair_lubricate_poly.cpp b/src/COLLOID/pair_lubricate_poly.cpp index af4a9220d0..2d921debfe 100644 --- a/src/COLLOID/pair_lubricate_poly.cpp +++ b/src/COLLOID/pair_lubricate_poly.cpp @@ -130,7 +130,7 @@ void PairLubricatePoly::compute(int eflag, int vflag) // copy updated omega to the ghost particles // no need to do this if not shearing since comm->ghost_velocity is set - comm->forward_comm_pair(this); + comm->forward_comm(this); } // This section of code adjusts R0/RT0/RS0 if necessary due to changes diff --git a/src/DIELECTRIC/fix_polarize_bem_gmres.cpp b/src/DIELECTRIC/fix_polarize_bem_gmres.cpp index f5f119f686..5d723316c0 100644 --- a/src/DIELECTRIC/fix_polarize_bem_gmres.cpp +++ b/src/DIELECTRIC/fix_polarize_bem_gmres.cpp @@ -322,7 +322,7 @@ void FixPolarizeBEMGMRES::compute_induced_charges() if (induced_charge_idx[i] >= 0) q[i] = 0; } - comm->forward_comm_fix(this); + comm->forward_comm(this); // note here q[i] are the bound charges including area // so that kspace solver can be used directly with the charge values @@ -394,7 +394,7 @@ void FixPolarizeBEMGMRES::compute_induced_charges() } } - comm->forward_comm_fix(this); + comm->forward_comm(this); if (first) first = 0; } @@ -602,7 +602,7 @@ void FixPolarizeBEMGMRES::apply_operator(double *w, double *Aw, int /*n*/) } } - comm->forward_comm_fix(this); + comm->forward_comm(this); // compute the electrical field due to w*area: y = A (w*area) @@ -672,7 +672,7 @@ void FixPolarizeBEMGMRES::update_residual(double *w, double *r, int /*n*/) } } - comm->forward_comm_fix(this); + comm->forward_comm(this); force_clear(); force->pair->compute(eflag, vflag); diff --git a/src/DIELECTRIC/fix_polarize_bem_icc.cpp b/src/DIELECTRIC/fix_polarize_bem_icc.cpp index 7bd6ff25bd..da4296c1e4 100644 --- a/src/DIELECTRIC/fix_polarize_bem_icc.cpp +++ b/src/DIELECTRIC/fix_polarize_bem_icc.cpp @@ -251,7 +251,7 @@ void FixPolarizeBEMICC::compute_induced_charges() q[i] = q_free + q_bound; } - comm->forward_comm_fix(this); + comm->forward_comm(this); // iterate @@ -309,7 +309,7 @@ void FixPolarizeBEMICC::compute_induced_charges() #endif } - comm->forward_comm_fix(this); + comm->forward_comm(this); MPI_Allreduce(&tol, &rho, 1, MPI_DOUBLE, MPI_MAX, world); #ifdef _POLARIZE_DEBUG diff --git a/src/DIELECTRIC/fix_polarize_functional.cpp b/src/DIELECTRIC/fix_polarize_functional.cpp index 2e43d40ba0..d631447d89 100644 --- a/src/DIELECTRIC/fix_polarize_functional.cpp +++ b/src/DIELECTRIC/fix_polarize_functional.cpp @@ -412,7 +412,7 @@ void FixPolarizeFunctional::charge_rescaled(int scaled2real) if (induced_charge_idx[i] < 0) q[i] = q_real[i] / epsilon[i]; } - comm->forward_comm_fix(this); + comm->forward_comm(this); } /* ---------------------------------------------------------------------- */ diff --git a/src/DPD-MESO/pair_mdpd_rhosum.cpp b/src/DPD-MESO/pair_mdpd_rhosum.cpp index cbf1bccbee..4501adf4f4 100644 --- a/src/DPD-MESO/pair_mdpd_rhosum.cpp +++ b/src/DPD-MESO/pair_mdpd_rhosum.cpp @@ -157,7 +157,7 @@ void PairMDPDRhoSum::compute(int eflag, int vflag) { } // communicate densities - comm->forward_comm_pair(this); + comm->forward_comm(this); } /* ---------------------------------------------------------------------- diff --git a/src/DPD-REACT/fix_eos_table_rx.cpp b/src/DPD-REACT/fix_eos_table_rx.cpp index 5e950642d3..4da58eeaf2 100644 --- a/src/DPD-REACT/fix_eos_table_rx.cpp +++ b/src/DPD-REACT/fix_eos_table_rx.cpp @@ -203,7 +203,7 @@ void FixEOStableRX::setup(int /*vflag*/) } // Communicate the updated momenta and velocities to all nodes - comm->forward_comm_fix(this); + comm->forward_comm(this); for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) @@ -285,7 +285,7 @@ void FixEOStableRX::end_of_step() } // Communicate the updated momenta and velocities to all nodes - comm->forward_comm_fix(this); + comm->forward_comm(this); for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) { diff --git a/src/DPD-REACT/fix_rx.cpp b/src/DPD-REACT/fix_rx.cpp index f55cb4d943..e496f01451 100644 --- a/src/DPD-REACT/fix_rx.cpp +++ b/src/DPD-REACT/fix_rx.cpp @@ -657,7 +657,7 @@ void FixRX::setup_pre_force(int /*vflag*/) } // Communicate the updated momenta and velocities to all nodes - comm->forward_comm_fix(this); + comm->forward_comm(this); if (localTempFlag) delete [] dpdThetaLocal; delete [] userData.kFor; @@ -738,7 +738,7 @@ void FixRX::pre_force(int /*vflag*/) TimerType timer_ODE = getTimeStamp(); // Communicate the updated momenta and velocities to all nodes - comm->forward_comm_fix(this); + comm->forward_comm(this); if (localTempFlag) delete [] dpdThetaLocal; //TimerType timer_stop = getTimeStamp(); diff --git a/src/DPD-REACT/fix_shardlow.cpp b/src/DPD-REACT/fix_shardlow.cpp index 955f1ddd0a..238b4d9631 100644 --- a/src/DPD-REACT/fix_shardlow.cpp +++ b/src/DPD-REACT/fix_shardlow.cpp @@ -607,7 +607,7 @@ void FixShardlow::initial_integrate(int /*vflag*/) int workItemCt = ssa_gphaseLen[workPhase]; // Communicate the updated velocities to all nodes - comm->forward_comm_fix(this); + comm->forward_comm(this); if (useDPDE) { // Zero out the ghosts' uCond & uMech to be used as delta accumulators diff --git a/src/DPD-REACT/pair_multi_lucy.cpp b/src/DPD-REACT/pair_multi_lucy.cpp index 4aaea3f81b..e86c827d92 100644 --- a/src/DPD-REACT/pair_multi_lucy.cpp +++ b/src/DPD-REACT/pair_multi_lucy.cpp @@ -776,7 +776,7 @@ void PairMultiLucy::computeLocalDensity() } if (newton_pair) comm->reverse_comm_pair(this); - comm->forward_comm_pair(this); + comm->forward_comm(this); } /* ---------------------------------------------------------------------- */ diff --git a/src/DPD-REACT/pair_multi_lucy_rx.cpp b/src/DPD-REACT/pair_multi_lucy_rx.cpp index eac047d9f7..db6c2b4aad 100644 --- a/src/DPD-REACT/pair_multi_lucy_rx.cpp +++ b/src/DPD-REACT/pair_multi_lucy_rx.cpp @@ -936,7 +936,7 @@ void PairMultiLucyRX::computeLocalDensity() } if (newton_pair) comm->reverse_comm_pair(this); - comm->forward_comm_pair(this); + comm->forward_comm(this); } diff --git a/src/DRUDE/fix_drude_transform.cpp b/src/DRUDE/fix_drude_transform.cpp index 3f8b0cfe26..8f04578627 100644 --- a/src/DRUDE/fix_drude_transform.cpp +++ b/src/DRUDE/fix_drude_transform.cpp @@ -107,30 +107,30 @@ void FixDrudeTransform::setup(int) { namespace LAMMPS_NS { // required for specialization template <> void FixDrudeTransform::initial_integrate(int) { - comm->forward_comm_fix(this); + comm->forward_comm(this); real_to_reduced(); - //comm->forward_comm_fix(this); // Normally not needed + //comm->forward_comm(this); // Normally not needed } template <> void FixDrudeTransform::final_integrate() { - comm->forward_comm_fix(this); + comm->forward_comm(this); real_to_reduced(); - //comm->forward_comm_fix(this); // Normally not needed + //comm->forward_comm(this); // Normally not needed } template <> void FixDrudeTransform::initial_integrate(int) { - comm->forward_comm_fix(this); + comm->forward_comm(this); reduced_to_real(); - //comm->forward_comm_fix(this); // Normally not needed + //comm->forward_comm(this); // Normally not needed } template <> void FixDrudeTransform::final_integrate() { - comm->forward_comm_fix(this); + comm->forward_comm(this); reduced_to_real(); - //comm->forward_comm_fix(this); // Normally not needed + //comm->forward_comm(this); // Normally not needed } } // end of namespace diff --git a/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp b/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp index 7473aecdb2..7238e7bbf3 100644 --- a/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp +++ b/src/EXTRA-COMPUTE/compute_ave_sphere_atom.cpp @@ -145,7 +145,7 @@ void ComputeAveSphereAtom::compute_peratom() // need velocities of ghost atoms - comm->forward_comm_compute(this); + comm->forward_comm(this); // invoke full neighbor list (will copy or build if necessary) diff --git a/src/EXTRA-COMPUTE/compute_hma.cpp b/src/EXTRA-COMPUTE/compute_hma.cpp index 043dcec6cf..7c7a9d6226 100644 --- a/src/EXTRA-COMPUTE/compute_hma.cpp +++ b/src/EXTRA-COMPUTE/compute_hma.cpp @@ -286,7 +286,7 @@ void ComputeHMA::compute_vector() double phiSum = 0.0; if (computeCv>-1) { - comm->forward_comm_compute(this); + comm->forward_comm(this); double** cutsq = force->pair->cutsq; if (force->pair) { double **x = atom->x; diff --git a/src/EXTRA-FIX/fix_filter_corotate.cpp b/src/EXTRA-FIX/fix_filter_corotate.cpp index 50ce65bac0..70dae45042 100644 --- a/src/EXTRA-FIX/fix_filter_corotate.cpp +++ b/src/EXTRA-FIX/fix_filter_corotate.cpp @@ -715,7 +715,7 @@ void FixFilterCorotate::post_force_respa(int /*vflag*/, int ilevel, int /*iloop* { atom->x = x_store; - comm->forward_comm_fix(this); //comm forward of forces for outer filter + comm->forward_comm(this); //comm forward of forces for outer filter filter_outer(); } diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp index ae2e74c1e9..82710eb15d 100644 --- a/src/GPU/pair_eam_alloy_gpu.cpp +++ b/src/GPU/pair_eam_alloy_gpu.cpp @@ -142,7 +142,7 @@ void PairEAMAlloyGPU::compute(int eflag, int vflag) // communicate derivative of embedding function - comm->forward_comm_pair(this); + comm->forward_comm(this); // compute forces on each atom on GPU if (gpu_mode != GPU_FORCE) diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp index 4875f4236e..2a406d68e8 100644 --- a/src/GPU/pair_eam_fs_gpu.cpp +++ b/src/GPU/pair_eam_fs_gpu.cpp @@ -141,7 +141,7 @@ void PairEAMFSGPU::compute(int eflag, int vflag) // communicate derivative of embedding function - comm->forward_comm_pair(this); + comm->forward_comm(this); // compute forces on each atom on GPU if (gpu_mode != GPU_FORCE) diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp index ae5812c0c0..76f7a9684c 100644 --- a/src/GPU/pair_eam_gpu.cpp +++ b/src/GPU/pair_eam_gpu.cpp @@ -139,7 +139,7 @@ void PairEAMGPU::compute(int eflag, int vflag) // communicate derivative of embedding function - comm->forward_comm_pair(this); + comm->forward_comm(this); // compute forces on each atom on GPU if (gpu_mode != GPU_FORCE) diff --git a/src/GRANULAR/pair_gran_hertz_history.cpp b/src/GRANULAR/pair_gran_hertz_history.cpp index 19cf09cd02..151644bb83 100644 --- a/src/GRANULAR/pair_gran_hertz_history.cpp +++ b/src/GRANULAR/pair_gran_hertz_history.cpp @@ -76,7 +76,7 @@ void PairGranHertzHistory::compute(int eflag, int vflag) for (i = 0; i < nlocal; i++) if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]]; else mass_rigid[i] = 0.0; - comm->forward_comm_pair(this); + comm->forward_comm(this); } double **x = atom->x; diff --git a/src/GRANULAR/pair_gran_hooke.cpp b/src/GRANULAR/pair_gran_hooke.cpp index 1ef69e041d..5d3724f668 100644 --- a/src/GRANULAR/pair_gran_hooke.cpp +++ b/src/GRANULAR/pair_gran_hooke.cpp @@ -69,7 +69,7 @@ void PairGranHooke::compute(int eflag, int vflag) for (i = 0; i < nlocal; i++) if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]]; else mass_rigid[i] = 0.0; - comm->forward_comm_pair(this); + comm->forward_comm(this); } double **x = atom->x; diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index 74bfb4bcee..4d2dc441a5 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -138,7 +138,7 @@ void PairGranHookeHistory::compute(int eflag, int vflag) mass_rigid[i] = mass_body[body[i]]; else mass_rigid[i] = 0.0; - comm->forward_comm_pair(this); + comm->forward_comm(this); } double **x = atom->x; diff --git a/src/GRANULAR/pair_granular.cpp b/src/GRANULAR/pair_granular.cpp index 8bcfc723ac..0559ca4c84 100644 --- a/src/GRANULAR/pair_granular.cpp +++ b/src/GRANULAR/pair_granular.cpp @@ -209,7 +209,7 @@ void PairGranular::compute(int eflag, int vflag) for (i = 0; i < nlocal; i++) if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]]; else mass_rigid[i] = 0.0; - comm->forward_comm_pair(this); + comm->forward_comm(this); } double **x = atom->x; diff --git a/src/INTEL/pair_eam_intel.cpp b/src/INTEL/pair_eam_intel.cpp index 8a42e6bbaa..9e94bb36f3 100644 --- a/src/INTEL/pair_eam_intel.cpp +++ b/src/INTEL/pair_eam_intel.cpp @@ -474,7 +474,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, #endif if (tid == 0) - comm->forward_comm_pair(this); + comm->forward_comm(this); #if defined(_OPENMP) #pragma omp barrier diff --git a/src/KOKKOS/comm_kokkos.cpp b/src/KOKKOS/comm_kokkos.cpp index 44e6a1c419..e9baabcf6c 100644 --- a/src/KOKKOS/comm_kokkos.cpp +++ b/src/KOKKOS/comm_kokkos.cpp @@ -362,19 +362,19 @@ void CommKokkos::reverse_comm_device() /* ---------------------------------------------------------------------- */ -void CommKokkos::forward_comm_fix(Fix *fix, int size) +void CommKokkos::forward_comm(Fix *fix, int size) { if (fix->execution_space == Host || !fix->forward_comm_device || forward_fix_comm_classic) { k_sendlist.sync(); - CommBrick::forward_comm_fix(fix,size); + CommBrick::forward_comm(fix,size); } else { k_sendlist.sync(); - forward_comm_fix_device(fix); + forward_comm_device(fix); } } template -void CommKokkos::forward_comm_fix_device(Fix *fix, int size) +void CommKokkos::forward_comm_device(Fix *fix, int size) { int iswap,n,nsize; MPI_Request request; @@ -395,7 +395,7 @@ void CommKokkos::forward_comm_fix_device(Fix *fix, int size) // pack buffer - n = fixKKBase->pack_forward_comm_fix_kokkos(sendnum[iswap],k_sendlist, + n = fixKKBase->pack_forward_comm_kokkos(sendnum[iswap],k_sendlist, iswap,k_buf_send_fix,pbc_flag[iswap],pbc[iswap]); DeviceType().fence(); @@ -432,7 +432,7 @@ void CommKokkos::forward_comm_fix_device(Fix *fix, int size) // unpack buffer - fixKKBase->unpack_forward_comm_fix_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_tmp); + fixKKBase->unpack_forward_comm_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_tmp); DeviceType().fence(); } } @@ -445,10 +445,10 @@ void CommKokkos::reverse_comm_fix(Fix *fix, int size) CommBrick::reverse_comm_fix(fix, size); } -void CommKokkos::forward_comm_compute(Compute *compute) +void CommKokkos::forward_comm(Compute *compute) { k_sendlist.sync(); - CommBrick::forward_comm_compute(compute); + CommBrick::forward_comm(compute); } void CommKokkos::reverse_comm_compute(Compute *compute) @@ -457,19 +457,19 @@ void CommKokkos::reverse_comm_compute(Compute *compute) CommBrick::reverse_comm_compute(compute); } -void CommKokkos::forward_comm_pair(Pair *pair) +void CommKokkos::forward_comm(Pair *pair) { if (pair->execution_space == Host || forward_pair_comm_classic) { k_sendlist.sync(); - CommBrick::forward_comm_pair(pair); + CommBrick::forward_comm(pair); } else { k_sendlist.sync(); - forward_comm_pair_device(pair); + forward_comm_device(pair); } } template -void CommKokkos::forward_comm_pair_device(Pair *pair) +void CommKokkos::forward_comm_device(Pair *pair) { int iswap,n; MPI_Request request; @@ -549,10 +549,10 @@ void CommKokkos::reverse_comm_pair(Pair *pair) CommBrick::reverse_comm_pair(pair); } -void CommKokkos::forward_comm_dump(Dump *dump) +void CommKokkos::forward_comm(Dump *dump) { k_sendlist.sync(); - CommBrick::forward_comm_dump(dump); + CommBrick::forward_comm(dump); } void CommKokkos::reverse_comm_dump(Dump *dump) diff --git a/src/KOKKOS/comm_kokkos.h b/src/KOKKOS/comm_kokkos.h index 91d0c9de0b..2d2d5a74d6 100644 --- a/src/KOKKOS/comm_kokkos.h +++ b/src/KOKKOS/comm_kokkos.h @@ -42,21 +42,21 @@ class CommKokkos : public CommBrick { void exchange() override; // move atoms to new procs void borders() override; // setup list of atoms to comm - void forward_comm_pair(class Pair *) override; // forward comm from a Pair + void forward_comm(class Pair *) override; // forward comm from a Pair void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair - void forward_comm_fix(class Fix *, int size=0) override; // forward comm from a Fix + void forward_comm(class Fix *, int size=0) override; // forward comm from a Fix void reverse_comm_fix(class Fix *, int size=0) override; // reverse comm from a Fix - void forward_comm_compute(class Compute *) override; // forward from a Compute + void forward_comm(class Compute *) override; // forward from a Compute void reverse_comm_compute(class Compute *) override; // reverse from a Compute - void forward_comm_dump(class Dump *) override; // forward comm from a Dump + void forward_comm(class Dump *) override; // forward comm from a Dump void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array template void forward_comm_device(int dummy); template void reverse_comm_device(); - template void forward_comm_pair_device(Pair *pair); - template void forward_comm_fix_device(Fix *fix, int size=0); + template void forward_comm_device(Pair *pair); + template void forward_comm_device(Fix *fix, int size=0); template void exchange_device(); template void borders_device(); diff --git a/src/KOKKOS/comm_tiled_kokkos.cpp b/src/KOKKOS/comm_tiled_kokkos.cpp index 7c4dff4819..3d9934e7df 100644 --- a/src/KOKKOS/comm_tiled_kokkos.cpp +++ b/src/KOKKOS/comm_tiled_kokkos.cpp @@ -137,9 +137,9 @@ void CommTiledKokkos::borders() nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiledKokkos::forward_comm_pair(Pair *pair) +void CommTiledKokkos::forward_comm(Pair *pair) { - CommTiled::forward_comm_pair(pair); + CommTiled::forward_comm(pair); } /* ---------------------------------------------------------------------- @@ -161,9 +161,9 @@ void CommTiledKokkos::reverse_comm_pair(Pair *pair) some are smaller than max stored in its comm_forward ------------------------------------------------------------------------- */ -void CommTiledKokkos::forward_comm_fix(Fix *fix, int size) +void CommTiledKokkos::forward_comm(Fix *fix, int size) { - CommTiled::forward_comm_fix(fix,size); + CommTiled::forward_comm(fix,size); } /* ---------------------------------------------------------------------- @@ -197,9 +197,9 @@ void CommTiledKokkos::reverse_comm_fix_variable(Fix *fix) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiledKokkos::forward_comm_compute(Compute *compute) +void CommTiledKokkos::forward_comm(Compute *compute) { - CommTiled::forward_comm_compute(compute); + CommTiled::forward_comm(compute); } /* ---------------------------------------------------------------------- @@ -217,9 +217,9 @@ void CommTiledKokkos::reverse_comm_compute(Compute *compute) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiledKokkos::forward_comm_dump(Dump *dump) +void CommTiledKokkos::forward_comm(Dump *dump) { - CommTiled::forward_comm_dump(dump); + CommTiled::forward_comm(dump); } /* ---------------------------------------------------------------------- diff --git a/src/KOKKOS/comm_tiled_kokkos.h b/src/KOKKOS/comm_tiled_kokkos.h index 90d508ec4b..a2ef28c5ad 100644 --- a/src/KOKKOS/comm_tiled_kokkos.h +++ b/src/KOKKOS/comm_tiled_kokkos.h @@ -31,17 +31,17 @@ class CommTiledKokkos : public CommTiled { void exchange() override; // move atoms to new procs void borders() override; // setup list of atoms to comm - void forward_comm_pair(class Pair *) override; // forward comm from a Pair + void forward_comm(class Pair *) override; // forward comm from a Pair void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair - void forward_comm_fix(class Fix *, int size=0) override; + void forward_comm(class Fix *, int size=0) override; // forward comm from a Fix void reverse_comm_fix(class Fix *, int size=0) override; // reverse comm from a Fix void reverse_comm_fix_variable(class Fix *) override; // variable size reverse comm from a Fix - void forward_comm_compute(class Compute *) override; // forward from a Compute + void forward_comm(class Compute *) override; // forward from a Compute void reverse_comm_compute(class Compute *) override; // reverse from a Compute - void forward_comm_dump(class Dump *) override; // forward comm from a Dump + void forward_comm(class Dump *) override; // forward comm from a Dump void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array diff --git a/src/KOKKOS/compute_ave_sphere_atom_kokkos.cpp b/src/KOKKOS/compute_ave_sphere_atom_kokkos.cpp index 3f83c24fb6..e73f6d39a6 100644 --- a/src/KOKKOS/compute_ave_sphere_atom_kokkos.cpp +++ b/src/KOKKOS/compute_ave_sphere_atom_kokkos.cpp @@ -97,7 +97,7 @@ void ComputeAveSphereAtomKokkos::compute_peratom() // need velocities of ghost atoms atomKK->sync(Host,V_MASK); - comm->forward_comm_compute(this); + comm->forward_comm(this); atomKK->modified(Host,V_MASK); // invoke full neighbor list (will copy or build if necessary) diff --git a/src/KOKKOS/compute_coord_atom_kokkos.cpp b/src/KOKKOS/compute_coord_atom_kokkos.cpp index 9f0e7fc435..443e9a89eb 100644 --- a/src/KOKKOS/compute_coord_atom_kokkos.cpp +++ b/src/KOKKOS/compute_coord_atom_kokkos.cpp @@ -119,7 +119,7 @@ void ComputeCoordAtomKokkos::compute_peratom() } nqlist = c_orientorder->nqlist; normv = c_orientorder->array_atom; - comm->forward_comm_compute(this); + comm->forward_comm(this); if (!c_orientorder->kokkosable) error->all(FLERR,"Must use compute orientorder/atom/kk with compute coord/atom/kk"); diff --git a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp index 9d228020c3..3e3bcd8186 100644 --- a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp @@ -403,10 +403,10 @@ void FixACKS2ReaxFFKokkos::pre_force(int vflag) Kokkos::parallel_for(Kokkos::RangePolicy(0,nn),*this); pack_flag = 2; - // comm->forward_comm_fix(this); //Dist_vector( s ); + // comm->forward_comm(this); //Dist_vector( s ); k_s.template modify(); k_s.template sync(); - comm->forward_comm_fix(this); + comm->forward_comm(this); more_forward_comm(k_s.h_view.data()); k_s.template modify(); k_s.template sync(); @@ -1264,10 +1264,10 @@ int FixACKS2ReaxFFKokkos::bicgstab_solve() } pack_flag = 1; - // comm->forward_comm_fix(this); //Dist_vector( d ); + // comm->forward_comm(this); //Dist_vector( d ); k_d.template modify(); k_d.template sync(); - comm->forward_comm_fix(this); + comm->forward_comm(this); more_forward_comm(k_d.h_view.data()); k_d.template modify(); k_d.template sync(); @@ -1310,10 +1310,10 @@ int FixACKS2ReaxFFKokkos::bicgstab_solve() // sparse_matvec( &H, &X, q_hat, y ); pack_flag = 3; - // comm->forward_comm_fix(this); //Dist_vector( q_hat ); + // comm->forward_comm(this); //Dist_vector( q_hat ); k_q_hat.template modify(); k_q_hat.template sync(); - comm->forward_comm_fix(this); + comm->forward_comm(this); more_forward_comm(k_q_hat.h_view.data()); k_q_hat.template modify(); k_q_hat.template sync(); @@ -1378,10 +1378,10 @@ void FixACKS2ReaxFFKokkos::calculate_Q() Kokkos::parallel_for(Kokkos::RangePolicy(0,nn),*this); pack_flag = 2; - //comm->forward_comm_fix( this ); //Dist_vector( s ); + //comm->forward_comm( this ); //Dist_vector( s ); k_s.modify(); k_s.sync(); - comm->forward_comm_fix(this); + comm->forward_comm(this); k_s.modify(); k_s.sync(); diff --git a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp index e7cc76647d..3585d6a4f8 100644 --- a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp +++ b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp @@ -125,7 +125,7 @@ void FixEOStableRXKokkos::setup(int /*vflag*/) // Communicate the updated momenta and velocities to all nodes atomKK->sync(Host,UCHEM_MASK | UCG_MASK | UCGNEW_MASK); - comm->forward_comm_fix(this); + comm->forward_comm(this); atomKK->modified(Host,UCHEM_MASK | UCG_MASK | UCGNEW_MASK); atomKK->sync(execution_space,MASK_MASK | UCOND_MASK | UMECH_MASK | UCHEM_MASK | DPDTHETA_MASK | DVECTOR_MASK); @@ -274,7 +274,7 @@ void FixEOStableRXKokkos::end_of_step() // Communicate the updated momenta and velocities to all nodes atomKK->sync(Host,UCHEM_MASK | UCG_MASK | UCGNEW_MASK); - comm->forward_comm_fix(this); + comm->forward_comm(this); atomKK->modified(Host,UCHEM_MASK | UCG_MASK | UCGNEW_MASK); atomKK->sync(execution_space,MASK_MASK | UCOND_MASK | UMECH_MASK | UCHEM_MASK | DPDTHETA_MASK | DVECTOR_MASK); diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp index 52212c09ed..6ba81a58b1 100644 --- a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp @@ -264,16 +264,16 @@ void FixQEqReaxFFKokkos::pre_force(int /*vflag*/) FixQEqReaxFFKokkosMatVecFunctor matvec_functor(this); Kokkos::parallel_for(inum,matvec_functor); - // comm->forward_comm_fix(this); //Dist_vector(s); + // comm->forward_comm(this); //Dist_vector(s); pack_flag = 2; k_s.template modify(); - comm->forward_comm_fix(this); + comm->forward_comm(this); k_s.template sync(); - // comm->forward_comm_fix(this); //Dist_vector(t); + // comm->forward_comm(this); //Dist_vector(t); pack_flag = 3; k_t.template modify(); - comm->forward_comm_fix(this); + comm->forward_comm(this); k_t.template sync(); need_dup = lmp->kokkos->need_dup(); @@ -785,10 +785,10 @@ int FixQEqReaxFFKokkos::cg_solve1() int loop; for (loop = 1; (loop < imax) && (sqrt(sig_new)/b_norm > tolerance); loop++) { - // comm->forward_comm_fix(this); //Dist_vector(d); + // comm->forward_comm(this); //Dist_vector(d); pack_flag = 1; k_d.template modify(); - comm->forward_comm_fix(this); + comm->forward_comm(this); k_d.template sync(); // sparse_matvec(&H, d, q); @@ -915,10 +915,10 @@ int FixQEqReaxFFKokkos::cg_solve2() int loop; for (loop = 1; (loop < imax) && (sqrt(sig_new)/b_norm > tolerance); loop++) { - // comm->forward_comm_fix(this); //Dist_vector(d); + // comm->forward_comm(this); //Dist_vector(d); pack_flag = 1; k_d.template modify(); - comm->forward_comm_fix(this); + comm->forward_comm(this); k_d.template sync(); // sparse_matvec(&H, d, q); @@ -1016,8 +1016,8 @@ void FixQEqReaxFFKokkos::calculate_q() atomKK->modified(execution_space,Q_MASK); pack_flag = 4; - //comm->forward_comm_fix(this); //Dist_vector(atom->q); - comm->forward_comm_fix(this); + //comm->forward_comm(this); //Dist_vector(atom->q); + comm->forward_comm(this); } /* ---------------------------------------------------------------------- */ @@ -1347,7 +1347,7 @@ void FixQEqReaxFFKokkos::calculate_q_item(int ii) const /* ---------------------------------------------------------------------- */ template -int FixQEqReaxFFKokkos::pack_forward_comm_fix_kokkos(int n, DAT::tdual_int_2d k_sendlist, +int FixQEqReaxFFKokkos::pack_forward_comm_kokkos(int n, DAT::tdual_int_2d k_sendlist, int iswap_in, DAT::tdual_xfloat_1d &k_buf, int /*pbc_flag*/, int * /*pbc*/) { @@ -1376,7 +1376,7 @@ void FixQEqReaxFFKokkos::operator()(TagFixQEqReaxFFPackForwardComm, /* ---------------------------------------------------------------------- */ template -void FixQEqReaxFFKokkos::unpack_forward_comm_fix_kokkos(int n, int first_in, DAT::tdual_xfloat_1d &buf) +void FixQEqReaxFFKokkos::unpack_forward_comm_kokkos(int n, int first_in, DAT::tdual_xfloat_1d &buf) { first = first_in; d_buf = buf.view(); diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.h b/src/KOKKOS/fix_qeq_reaxff_kokkos.h index 28ffc34a3d..2ff73b8fe4 100644 --- a/src/KOKKOS/fix_qeq_reaxff_kokkos.h +++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.h @@ -157,9 +157,9 @@ class FixQEqReaxFFKokkos : public FixQEqReaxFF, public KokkosBase { F_FLOAT chi, eta, gamma; }; - int pack_forward_comm_fix_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, + int pack_forward_comm_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, int, int *) override; - void unpack_forward_comm_fix_kokkos(int, int, DAT::tdual_xfloat_1d&) override; + void unpack_forward_comm_kokkos(int, int, DAT::tdual_xfloat_1d&) override; int pack_forward_comm(int, int *, double *, int, int *) override; void unpack_forward_comm(int, int, double *) override; int pack_reverse_comm(int, int, double *) override; diff --git a/src/KOKKOS/fix_reaxff_species_kokkos.cpp b/src/KOKKOS/fix_reaxff_species_kokkos.cpp index d3d913eda8..3e8c245aee 100644 --- a/src/KOKKOS/fix_reaxff_species_kokkos.cpp +++ b/src/KOKKOS/fix_reaxff_species_kokkos.cpp @@ -102,7 +102,7 @@ void FixReaxFFSpeciesKokkos::FindMolecule() loop = 0; while (1) { - comm->forward_comm_fix(this); + comm->forward_comm(this); loop ++; change = 0; diff --git a/src/KOKKOS/fix_rx_kokkos.cpp b/src/KOKKOS/fix_rx_kokkos.cpp index caa79c77b1..c6aac16922 100644 --- a/src/KOKKOS/fix_rx_kokkos.cpp +++ b/src/KOKKOS/fix_rx_kokkos.cpp @@ -1673,7 +1673,7 @@ void FixRxKokkos::solve_reactions(const int /*vflag*/, const bool is // Communicate the updated species data to all nodes atomKK->sync ( Host, DVECTOR_MASK ); - comm->forward_comm_fix(this); + comm->forward_comm(this); atomKK->modified ( Host, DVECTOR_MASK ); diff --git a/src/KOKKOS/fix_shake_kokkos.cpp b/src/KOKKOS/fix_shake_kokkos.cpp index 3fef8030a1..a24c47c1e2 100644 --- a/src/KOKKOS/fix_shake_kokkos.cpp +++ b/src/KOKKOS/fix_shake_kokkos.cpp @@ -341,7 +341,7 @@ void FixShakeKokkos::post_force(int vflag) // communicate results if necessary unconstrained_update(); - if (nprocs > 1) comm->forward_comm_fix(this); + if (nprocs > 1) comm->forward_comm(this); k_xshake.sync(); // virial setup @@ -1528,7 +1528,7 @@ int FixShakeKokkos::unpack_exchange(int nlocal, double *buf) /* ---------------------------------------------------------------------- */ template -int FixShakeKokkos::pack_forward_comm_fix_kokkos(int n, DAT::tdual_int_2d k_sendlist, +int FixShakeKokkos::pack_forward_comm_kokkos(int n, DAT::tdual_int_2d k_sendlist, int iswap_in, DAT::tdual_xfloat_1d &k_buf, int pbc_flag, int* pbc) { @@ -1588,7 +1588,7 @@ int FixShakeKokkos::pack_forward_comm(int n, int *list, double *buf, /* ---------------------------------------------------------------------- */ template -void FixShakeKokkos::unpack_forward_comm_fix_kokkos(int n, int first_in, DAT::tdual_xfloat_1d &buf) +void FixShakeKokkos::unpack_forward_comm_kokkos(int n, int first_in, DAT::tdual_xfloat_1d &buf) { first = first_in; d_buf = buf.view(); @@ -1704,7 +1704,7 @@ void FixShakeKokkos::correct_coordinates(int vflag) { xshake = x; if (nprocs > 1) { forward_comm_device = 0; - comm->forward_comm_fix(this); + comm->forward_comm(this); forward_comm_device = 1; } xshake = xtmp; diff --git a/src/KOKKOS/fix_shake_kokkos.h b/src/KOKKOS/fix_shake_kokkos.h index 11a94f0d2c..205fc870e0 100644 --- a/src/KOKKOS/fix_shake_kokkos.h +++ b/src/KOKKOS/fix_shake_kokkos.h @@ -62,9 +62,9 @@ class FixShakeKokkos : public FixShake, public KokkosBase { int pack_exchange(int, double *) override; int unpack_exchange(int, double *) override; - int pack_forward_comm_fix_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, + int pack_forward_comm_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, int, int *) override; - void unpack_forward_comm_fix_kokkos(int, int, DAT::tdual_xfloat_1d&) override; + void unpack_forward_comm_kokkos(int, int, DAT::tdual_xfloat_1d&) override; int pack_forward_comm(int, int *, double *, int, int *) override; void unpack_forward_comm(int, int, double *) override; diff --git a/src/KOKKOS/fix_shardlow_kokkos.cpp b/src/KOKKOS/fix_shardlow_kokkos.cpp index fb2e9e2108..75190d395b 100644 --- a/src/KOKKOS/fix_shardlow_kokkos.cpp +++ b/src/KOKKOS/fix_shardlow_kokkos.cpp @@ -642,7 +642,7 @@ void FixShardlowKokkos::initial_integrate(int /*vflag*/) // Communicate the updated velocities to all nodes atomKK->sync(Host,V_MASK); - comm->forward_comm_fix(this); + comm->forward_comm(this); atomKK->modified(Host,V_MASK); if (k_pairDPDE) { diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 4b253793c8..214e8c3a6d 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -201,7 +201,7 @@ void PairEAMAlloyKokkos::compute(int eflag_in, int vflag_in) // communicate derivative of embedding function k_fp.template modify(); - comm->forward_comm_pair(this); + comm->forward_comm(this); k_fp.template sync(); // compute kernel C diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index f9ae3b420c..52a369eb60 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -201,7 +201,7 @@ void PairEAMFSKokkos::compute(int eflag_in, int vflag_in) // communicate derivative of embedding function (on the device) k_fp.template modify(); - comm->forward_comm_pair(this); + comm->forward_comm(this); k_fp.template sync(); // compute kernel C diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp index 5aa36299d7..e03afa6eac 100644 --- a/src/KOKKOS/pair_eam_kokkos.cpp +++ b/src/KOKKOS/pair_eam_kokkos.cpp @@ -196,7 +196,7 @@ void PairEAMKokkos::compute(int eflag_in, int vflag_in) // communicate derivative of embedding function k_fp.template modify(); - comm->forward_comm_pair(this); + comm->forward_comm(this); k_fp.template sync(); // compute kernel C diff --git a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp index 820e0e4924..a11f548011 100644 --- a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp +++ b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp @@ -518,7 +518,7 @@ void PairMultiLucyRXKokkos::computeLocalDensity() if (newton_pair) comm->reverse_comm_pair(this); - comm->forward_comm_pair(this); + comm->forward_comm(this); atomKK->sync(execution_space,DPDRHO_MASK); } diff --git a/src/MACHDYN/fix_smd_move_triangulated_surface.cpp b/src/MACHDYN/fix_smd_move_triangulated_surface.cpp index 6fc8a1dadc..b0cf2e6740 100644 --- a/src/MACHDYN/fix_smd_move_triangulated_surface.cpp +++ b/src/MACHDYN/fix_smd_move_triangulated_surface.cpp @@ -432,7 +432,7 @@ void FixSMDMoveTriSurf::initial_integrate(int /*vflag*/) { } // we changed smd_data_9, x0. perform communication to ghosts - comm->forward_comm_fix(this); + comm->forward_comm(this); } diff --git a/src/MACHDYN/fix_smd_tlsph_reference_configuration.cpp b/src/MACHDYN/fix_smd_tlsph_reference_configuration.cpp index 32d96e3d7f..a3ba73709b 100644 --- a/src/MACHDYN/fix_smd_tlsph_reference_configuration.cpp +++ b/src/MACHDYN/fix_smd_tlsph_reference_configuration.cpp @@ -185,7 +185,7 @@ void FixSMD_TLSPH_ReferenceConfiguration::pre_exchange() { // update of reference config could have changed x0, vfrac, radius // communicate these quantities now to ghosts: x0, vfrac, radius - comm->forward_comm_fix(this); + comm->forward_comm(this); setup(0); } diff --git a/src/MACHDYN/pair_smd_tlsph.cpp b/src/MACHDYN/pair_smd_tlsph.cpp index 280e0173e3..748c6b2c0d 100644 --- a/src/MACHDYN/pair_smd_tlsph.cpp +++ b/src/MACHDYN/pair_smd_tlsph.cpp @@ -403,7 +403,7 @@ void PairTlsph::compute(int eflag, int vflag) { * QUANTITIES ABOVE HAVE ONLY BEEN CALCULATED FOR NLOCAL PARTICLES. * NEED TO DO A FORWARD COMMUNICATION TO GHOST ATOMS NOW */ - comm->forward_comm_pair(this); + comm->forward_comm(this); /* * compute forces between particles diff --git a/src/MACHDYN/pair_smd_ulsph.cpp b/src/MACHDYN/pair_smd_ulsph.cpp index e9eac13126..71091a0419 100644 --- a/src/MACHDYN/pair_smd_ulsph.cpp +++ b/src/MACHDYN/pair_smd_ulsph.cpp @@ -458,7 +458,7 @@ void PairULSPH::compute(int eflag, int vflag) { * QUANTITIES ABOVE HAVE ONLY BEEN CALCULATED FOR NLOCAL PARTICLES. * NEED TO DO A FORWARD COMMUNICATION TO GHOST ATOMS NOW */ - comm->forward_comm_pair(this); + comm->forward_comm(this); updateFlag = 0; diff --git a/src/MANYBODY/fix_qeq_comb.cpp b/src/MANYBODY/fix_qeq_comb.cpp index 30d970fc97..adfca06e73 100644 --- a/src/MANYBODY/fix_qeq_comb.cpp +++ b/src/MANYBODY/fix_qeq_comb.cpp @@ -228,7 +228,7 @@ void FixQEQComb::post_force(int /*vflag*/) } } - comm->forward_comm_fix(this); + comm->forward_comm(this); enegtot = 0.0; if (comb) enegtot = comb->yasu_char(qf,igroup); else if (comb3) enegtot = comb3->combqeq(qf,igroup); diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index 9cec1f0460..bc6503749d 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -276,7 +276,7 @@ void PairADP::compute(int eflag, int vflag) // communicate derivative of embedding function - comm->forward_comm_pair(this); + comm->forward_comm(this); // compute forces on each atom // loop over neighbors of my atoms diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 9db55ec158..14af1703af 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -1587,7 +1587,7 @@ double PairComb::yasu_char(double *qf_fix, int &igroup) // communicating charge force to all nodes, first forward then reverse - comm->forward_comm_pair(this); + comm->forward_comm(this); // self energy correction term: potal diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index f0ded17258..dc02630bc6 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -777,7 +777,7 @@ void PairComb3::Short_neigh() // communicating coordination number to all nodes pack_flag = 2; - comm->forward_comm_pair(this); + comm->forward_comm(this); } @@ -3154,7 +3154,7 @@ double PairComb3::combqeq(double *qf_fix, int &igroup) // communicating charge force to all nodes, first forward then reverse pack_flag = 1; - comm->forward_comm_pair(this); + comm->forward_comm(this); // self energy correction term: potal diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 470fed6257..50bacb66c9 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -248,7 +248,7 @@ void PairEAM::compute(int eflag, int vflag) // communicate derivative of embedding function - comm->forward_comm_pair(this); + comm->forward_comm(this); embedstep = update->ntimestep; // compute forces on each atom diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp index 4cbb3fd1d1..898e1278dc 100644 --- a/src/MANYBODY/pair_eam_cd.cpp +++ b/src/MANYBODY/pair_eam_cd.cpp @@ -192,7 +192,7 @@ void PairEAMCD::compute(int eflag, int vflag) // and D_values (this for one-site formulation only). communicationStage = 2; - comm->forward_comm_pair(this); + comm->forward_comm(this); // The electron densities may not drop to zero because then the // concentration would no longer be defined. But the concentration @@ -272,7 +272,7 @@ void PairEAMCD::compute(int eflag, int vflag) comm->reverse_comm_pair(this); } communicationStage = 4; - comm->forward_comm_pair(this); + comm->forward_comm(this); } // Stage III diff --git a/src/MANYBODY/pair_eam_he.cpp b/src/MANYBODY/pair_eam_he.cpp index b613fb8915..ae8682396d 100644 --- a/src/MANYBODY/pair_eam_he.cpp +++ b/src/MANYBODY/pair_eam_he.cpp @@ -157,7 +157,7 @@ void PairEAMHE::compute(int eflag, int vflag) // communicate derivative of embedding function - comm->forward_comm_pair(this); + comm->forward_comm(this); embedstep = update->ntimestep; // compute forces on each atom diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 242f83b84b..55ef9bd200 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -186,7 +186,7 @@ void PairEIM::compute(int eflag, int vflag) rhofp = 1; if (newton_pair) comm->reverse_comm_pair(this); - comm->forward_comm_pair(this); + comm->forward_comm(this); for (ii = 0; ii < inum; ii++) { i = ilist[ii]; @@ -227,7 +227,7 @@ void PairEIM::compute(int eflag, int vflag) rhofp = 2; if (newton_pair) comm->reverse_comm_pair(this); - comm->forward_comm_pair(this); + comm->forward_comm(this); for (ii = 0; ii < inum; ii++) { i = ilist[ii]; diff --git a/src/MANYBODY/pair_local_density.cpp b/src/MANYBODY/pair_local_density.cpp index 3fe12bb71d..5a41f07e75 100644 --- a/src/MANYBODY/pair_local_density.cpp +++ b/src/MANYBODY/pair_local_density.cpp @@ -284,7 +284,7 @@ void PairLocalDensity::compute(int eflag, int vflag) // communicate LD and fp to all procs - comm->forward_comm_pair(this); + comm->forward_comm(this); // compute forces on each atom // loop over neighbors of my atoms diff --git a/src/MANYBODY/pair_meam_spline.cpp b/src/MANYBODY/pair_meam_spline.cpp index 0425fbcc8e..b09e5b6881 100644 --- a/src/MANYBODY/pair_meam_spline.cpp +++ b/src/MANYBODY/pair_meam_spline.cpp @@ -275,7 +275,7 @@ void PairMEAMSpline::compute(int eflag, int vflag) // Communicate U'(rho) values - comm->forward_comm_pair(this); + comm->forward_comm(this); // Compute two-body pair interactions for (int ii = 0; ii < listhalf->inum; ii++) { diff --git a/src/MANYBODY/pair_meam_sw_spline.cpp b/src/MANYBODY/pair_meam_sw_spline.cpp index b74b2a01de..68f22a28c3 100644 --- a/src/MANYBODY/pair_meam_sw_spline.cpp +++ b/src/MANYBODY/pair_meam_sw_spline.cpp @@ -289,7 +289,7 @@ void PairMEAMSWSpline::compute(int eflag, int vflag) // Communicate U'(rho) values - comm->forward_comm_pair(this); + comm->forward_comm(this); int inum_half = listhalf->inum; int* ilist_half = listhalf->ilist; diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp index b3420e423e..9900f1aa26 100644 --- a/src/MC/fix_atom_swap.cpp +++ b/src/MC/fix_atom_swap.cpp @@ -378,7 +378,7 @@ int FixAtomSwap::attempt_semi_grand() if (modify->n_pre_neighbor) modify->pre_neighbor(); neighbor->build(1); } else { - comm->forward_comm_fix(this); + comm->forward_comm(this); } // post-swap energy @@ -464,7 +464,7 @@ int FixAtomSwap::attempt_swap() if (modify->n_pre_neighbor) modify->pre_neighbor(); neighbor->build(1); } else { - comm->forward_comm_fix(this); + comm->forward_comm(this); } // post-swap energy diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp index f1860ba3ec..3af7fc5b16 100644 --- a/src/MC/fix_bond_break.cpp +++ b/src/MC/fix_bond_break.cpp @@ -259,7 +259,7 @@ void FixBondBreak::post_integrate() } commflag = 1; - comm->forward_comm_fix(this,2); + comm->forward_comm(this,2); // break bonds // if both atoms list each other as winning bond partner @@ -338,7 +338,7 @@ void FixBondBreak::post_integrate() // 1-2 neighs already reflect broken bonds commflag = 2; - comm->forward_comm_fix(this); + comm->forward_comm(this); // create list of broken bonds that influence my owned atoms // even if between owned-ghost or ghost-ghost atoms diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index e245b2d738..8fce7caa58 100644 --- a/src/MC/fix_bond_create.cpp +++ b/src/MC/fix_bond_create.cpp @@ -374,7 +374,7 @@ void FixBondCreate::post_integrate() // forward comm of bondcount, so ghosts have it commflag = 1; - comm->forward_comm_fix(this,1); + comm->forward_comm(this,1); // resize bond partner list and initialize it // probability array overlays distsq array @@ -417,7 +417,7 @@ void FixBondCreate::post_integrate() // to correctly handle angle constraints commflag = 3; - comm->forward_comm_fix(this); + comm->forward_comm(this); } neighbor->build_one(list,1); @@ -500,7 +500,7 @@ void FixBondCreate::post_integrate() } commflag = 2; - comm->forward_comm_fix(this,2); + comm->forward_comm(this,2); // create bonds for atoms I own // only if both atoms list each other as winning bond partner @@ -597,7 +597,7 @@ void FixBondCreate::post_integrate() // 1-2 neighs already reflect created bonds commflag = 3; - comm->forward_comm_fix(this); + comm->forward_comm(this); // create list of broken bonds that influence my owned atoms // even if between owned-ghost or ghost-ghost atoms diff --git a/src/MC/fix_mol_swap.cpp b/src/MC/fix_mol_swap.cpp index 399efb419b..a8c7b4ddb2 100644 --- a/src/MC/fix_mol_swap.cpp +++ b/src/MC/fix_mol_swap.cpp @@ -324,7 +324,7 @@ int FixMolSwap::attempt_swap() if (modify->n_pre_neighbor) modify->pre_neighbor(); neighbor->build(1); } else { - comm->forward_comm_fix(this); + comm->forward_comm(this); } // post-swap energy diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp index 6c240fc40a..dccb1aebe9 100644 --- a/src/MEAM/pair_meam.cpp +++ b/src/MEAM/pair_meam.cpp @@ -146,7 +146,7 @@ void PairMEAM::compute(int eflag, int vflag) if (errorflag) error->one(FLERR,"MEAM library error {}",errorflag); - comm->forward_comm_pair(this); + comm->forward_comm(this); offset = 0; diff --git a/src/MESONT/pair_mesont_tpm.cpp b/src/MESONT/pair_mesont_tpm.cpp index 293e9d02f5..b52adafe89 100644 --- a/src/MESONT/pair_mesont_tpm.cpp +++ b/src/MESONT/pair_mesont_tpm.cpp @@ -408,7 +408,7 @@ void PairMESONTTPM::compute(int eflag, int vflag) { int idx = ntlist.get_idx(i); buckling[idx] = b_sort[i]; } - comm->forward_comm_pair(this); + comm->forward_comm(this); for (int i = 0; i < nall; i++) { int idx = ntlist.get_idx(i); b_sort[i] = buckling[idx]; diff --git a/src/OPENMP/fix_qeq_comb_omp.cpp b/src/OPENMP/fix_qeq_comb_omp.cpp index 900a47bd02..82d0b0665a 100644 --- a/src/OPENMP/fix_qeq_comb_omp.cpp +++ b/src/OPENMP/fix_qeq_comb_omp.cpp @@ -134,7 +134,7 @@ void FixQEQCombOMP::post_force(int /* vflag */) q[i] += q1[i]; } } - comm->forward_comm_fix(this); + comm->forward_comm(this); if (comb) enegtot = comb->yasu_char(qf,igroup); enegtot /= ngroup; diff --git a/src/OPENMP/fix_qeq_reaxff_omp.cpp b/src/OPENMP/fix_qeq_reaxff_omp.cpp index 0b0ba589cf..9b6ca327f3 100644 --- a/src/OPENMP/fix_qeq_reaxff_omp.cpp +++ b/src/OPENMP/fix_qeq_reaxff_omp.cpp @@ -363,9 +363,9 @@ void FixQEqReaxFFOMP::init_matvec() } pack_flag = 2; - comm->forward_comm_fix(this); //Dist_vector(s); + comm->forward_comm(this); //Dist_vector(s); pack_flag = 3; - comm->forward_comm_fix(this); //Dist_vector(t); + comm->forward_comm(this); //Dist_vector(t); } /* ---------------------------------------------------------------------- */ @@ -408,7 +408,7 @@ int FixQEqReaxFFOMP::CG(double *b, double *x) sig_new = buf[1]; for (i = 1; i < imax && sqrt(sig_new) / b_norm > tolerance; ++i) { - comm->forward_comm_fix(this); //Dist_vector(d); + comm->forward_comm(this); //Dist_vector(d); sparse_matvec(&H, d, q); comm->reverse_comm_fix(this); //Coll_vector(q); @@ -594,7 +594,7 @@ void FixQEqReaxFFOMP::calculate_Q() } pack_flag = 4; - comm->forward_comm_fix(this); //Dist_vector(atom->q); + comm->forward_comm(this); //Dist_vector(atom->q); } /* ---------------------------------------------------------------------- */ @@ -684,7 +684,7 @@ int FixQEqReaxFFOMP::dual_CG(double *b1, double *b2, double *x1, double *x2) sig_new_t = buf[3]; for (i = 1; i < imax; ++i) { - comm->forward_comm_fix(this); //Dist_vector(d); + comm->forward_comm(this); //Dist_vector(d); dual_sparse_matvec(&H, d, q); comm->reverse_comm_fix(this); //Coll_vector(q); @@ -782,7 +782,7 @@ int FixQEqReaxFFOMP::dual_CG(double *b1, double *b2, double *x1, double *x2) // If only one was converged and there are still iterations left, converge other system if ((matvecs_s < imax) && (sqrt(sig_new_s)/b_norm_s > tolerance)) { pack_flag = 2; - comm->forward_comm_fix(this); // x1 => s + comm->forward_comm(this); // x1 => s int saved_imax = imax; imax -= matvecs_s; @@ -790,7 +790,7 @@ int FixQEqReaxFFOMP::dual_CG(double *b1, double *b2, double *x1, double *x2) imax = saved_imax; } else if ((matvecs_t < imax) && (sqrt(sig_new_t)/b_norm_t > tolerance)) { pack_flag = 3; - comm->forward_comm_fix(this); // x2 => t + comm->forward_comm(this); // x2 => t int saved_imax = imax; imax -= matvecs_t; matvecs_t += CG(b2, x2); diff --git a/src/OPENMP/fix_rigid_small_omp.cpp b/src/OPENMP/fix_rigid_small_omp.cpp index 222ae054b3..cc6666053b 100644 --- a/src/OPENMP/fix_rigid_small_omp.cpp +++ b/src/OPENMP/fix_rigid_small_omp.cpp @@ -90,7 +90,7 @@ void FixRigidSmallOMP::initial_integrate(int vflag) // forward communicate updated info of all bodies commflag = INITIAL; - comm->forward_comm_fix(this,26); + comm->forward_comm(this,26); // set coords/orient and velocity/rotation of atoms in rigid bodies @@ -247,7 +247,7 @@ void FixRigidSmallOMP::final_integrate() // forward communicate updated info of all bodies commflag = FINAL; - comm->forward_comm_fix(this,10); + comm->forward_comm(this,10); // set velocity/rotation of atoms in rigid bodies // virial is already setup from initial_integrate diff --git a/src/OPENMP/pair_adp_omp.cpp b/src/OPENMP/pair_adp_omp.cpp index 2289743251..c892c17481 100644 --- a/src/OPENMP/pair_adp_omp.cpp +++ b/src/OPENMP/pair_adp_omp.cpp @@ -262,7 +262,7 @@ void PairADPOMP::eval(int iifrom, int iito, ThrData * const thr) #if defined(_OPENMP) #pragma omp master #endif - { comm->forward_comm_pair(this); } + { comm->forward_comm(this); } // wait until master thread is done with communication sync_threads(); diff --git a/src/OPENMP/pair_comb_omp.cpp b/src/OPENMP/pair_comb_omp.cpp index 169704b289..4d6ab2c932 100644 --- a/src/OPENMP/pair_comb_omp.cpp +++ b/src/OPENMP/pair_comb_omp.cpp @@ -409,7 +409,7 @@ double PairCombOMP::yasu_char(double *qf_fix, int &igroup) // communicating charge force to all nodes, first forward then reverse - comm->forward_comm_pair(this); + comm->forward_comm(this); // self energy correction term: potal diff --git a/src/OPENMP/pair_eam_omp.cpp b/src/OPENMP/pair_eam_omp.cpp index 6b4a3f79b2..2ee2f7c131 100644 --- a/src/OPENMP/pair_eam_omp.cpp +++ b/src/OPENMP/pair_eam_omp.cpp @@ -216,7 +216,7 @@ void PairEAMOMP::eval(int iifrom, int iito, ThrData * const thr) #if defined(_OPENMP) #pragma omp master #endif - { comm->forward_comm_pair(this); } + { comm->forward_comm(this); } // wait until master thread is done with communication sync_threads(); diff --git a/src/OPENMP/pair_eim_omp.cpp b/src/OPENMP/pair_eim_omp.cpp index 1d6261e889..842773df7c 100644 --- a/src/OPENMP/pair_eim_omp.cpp +++ b/src/OPENMP/pair_eim_omp.cpp @@ -190,7 +190,7 @@ void PairEIMOMP::eval(int iifrom, int iito, ThrData * const thr) #endif { rhofp = 1; - comm->forward_comm_pair(this); + comm->forward_comm(this); } // wait until master is finished communicating @@ -264,7 +264,7 @@ void PairEIMOMP::eval(int iifrom, int iito, ThrData * const thr) #endif { rhofp = 2; - comm->forward_comm_pair(this); + comm->forward_comm(this); } // wait until master is finished communicating diff --git a/src/OPENMP/pair_gran_hertz_history_omp.cpp b/src/OPENMP/pair_gran_hertz_history_omp.cpp index 34999c5c1d..2ee0921688 100644 --- a/src/OPENMP/pair_gran_hertz_history_omp.cpp +++ b/src/OPENMP/pair_gran_hertz_history_omp.cpp @@ -67,7 +67,7 @@ void PairGranHertzHistoryOMP::compute(int eflag, int vflag) for (int i = 0; i < nlocal; i++) if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]]; else mass_rigid[i] = 0.0; - comm->forward_comm_pair(this); + comm->forward_comm(this); } #if defined(_OPENMP) diff --git a/src/OPENMP/pair_gran_hooke_history_omp.cpp b/src/OPENMP/pair_gran_hooke_history_omp.cpp index 1ff68b3093..64482fd634 100644 --- a/src/OPENMP/pair_gran_hooke_history_omp.cpp +++ b/src/OPENMP/pair_gran_hooke_history_omp.cpp @@ -64,7 +64,7 @@ void PairGranHookeHistoryOMP::compute(int eflag, int vflag) for (int i = 0; i < nlocal; i++) if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]]; else mass_rigid[i] = 0.0; - comm->forward_comm_pair(this); + comm->forward_comm(this); } const int nall = atom->nlocal + atom->nghost; diff --git a/src/OPENMP/pair_gran_hooke_omp.cpp b/src/OPENMP/pair_gran_hooke_omp.cpp index 067b64ff55..85277f0719 100644 --- a/src/OPENMP/pair_gran_hooke_omp.cpp +++ b/src/OPENMP/pair_gran_hooke_omp.cpp @@ -63,7 +63,7 @@ void PairGranHookeOMP::compute(int eflag, int vflag) for (int i = 0; i < nlocal; i++) if (body[i] >= 0) mass_rigid[i] = mass_body[body[i]]; else mass_rigid[i] = 0.0; - comm->forward_comm_pair(this); + comm->forward_comm(this); } #if defined(_OPENMP) diff --git a/src/OPENMP/pair_lubricate_omp.cpp b/src/OPENMP/pair_lubricate_omp.cpp index f2df1b3ee8..2bab66e5ab 100644 --- a/src/OPENMP/pair_lubricate_omp.cpp +++ b/src/OPENMP/pair_lubricate_omp.cpp @@ -219,7 +219,7 @@ void PairLubricateOMP::eval(int iifrom, int iito, ThrData * const thr) #if defined(_OPENMP) #pragma omp master #endif - { comm->forward_comm_pair(this); } + { comm->forward_comm(this); } sync_threads(); } diff --git a/src/OPENMP/pair_lubricate_poly_omp.cpp b/src/OPENMP/pair_lubricate_poly_omp.cpp index 669b964c73..31a6d1e677 100644 --- a/src/OPENMP/pair_lubricate_poly_omp.cpp +++ b/src/OPENMP/pair_lubricate_poly_omp.cpp @@ -219,7 +219,7 @@ void PairLubricatePolyOMP::eval(int iifrom, int iito, ThrData * const thr) #if defined(_OPENMP) #pragma omp master #endif - { comm->forward_comm_pair(this); } + { comm->forward_comm(this); } sync_threads(); } diff --git a/src/OPENMP/pair_meam_spline_omp.cpp b/src/OPENMP/pair_meam_spline_omp.cpp index dff95c1d97..19da4c90ec 100644 --- a/src/OPENMP/pair_meam_spline_omp.cpp +++ b/src/OPENMP/pair_meam_spline_omp.cpp @@ -268,7 +268,7 @@ void PairMEAMSplineOMP::eval(int iifrom, int iito, ThrData * const thr) #if defined(_OPENMP) #pragma omp master #endif - { comm->forward_comm_pair(this); } + { comm->forward_comm(this); } // wait until master thread is done with communication sync_threads(); diff --git a/src/OPENMP/pair_peri_lps_omp.cpp b/src/OPENMP/pair_peri_lps_omp.cpp index 3e1a37ade9..2b299a5dd3 100644 --- a/src/OPENMP/pair_peri_lps_omp.cpp +++ b/src/OPENMP/pair_peri_lps_omp.cpp @@ -233,10 +233,10 @@ void PairPeriLPSOMP::eval(int iifrom, int iito, ThrData * const thr) #pragma omp master #endif { // communicate dilatation (theta) of each particle - comm->forward_comm_pair(this); + comm->forward_comm(this); // communicate weighted volume (wvolume) upon every reneighbor if (neighbor->ago == 0) - comm->forward_comm_fix(fix_peri_neigh); + comm->forward_comm(fix_peri_neigh); } sync_threads(); diff --git a/src/OPENMP/pair_reaxff_omp.cpp b/src/OPENMP/pair_reaxff_omp.cpp index be270cd3d0..1f320f76fc 100644 --- a/src/OPENMP/pair_reaxff_omp.cpp +++ b/src/OPENMP/pair_reaxff_omp.cpp @@ -223,7 +223,7 @@ void PairReaxFFOMP::compute(int eflag, int vflag) // communicate num_bonds once every reneighboring // 2 num arrays stored by fix, grab ptr to them - if (neighbor->ago == 0) comm->forward_comm_fix(fix_reaxff); + if (neighbor->ago == 0) comm->forward_comm(fix_reaxff); int *num_bonds = fix_reaxff->num_bonds; int *num_hbonds = fix_reaxff->num_hbonds; diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp index 998b14a5e7..3276a159e6 100644 --- a/src/OPT/pair_eam_opt.cpp +++ b/src/OPT/pair_eam_opt.cpp @@ -252,7 +252,7 @@ void PairEAMOpt::eval() // communicate derivative of embedding function - comm->forward_comm_pair(this); + comm->forward_comm(this); embedstep = update->ntimestep; // compute forces on each atom diff --git a/src/ORIENT/fix_orient_bcc.cpp b/src/ORIENT/fix_orient_bcc.cpp index fd5ce748d6..bbb0e8c9c7 100644 --- a/src/ORIENT/fix_orient_bcc.cpp +++ b/src/ORIENT/fix_orient_bcc.cpp @@ -372,7 +372,7 @@ void FixOrientBCC::post_force(int /*vflag*/) // communicate to acquire nbr data for ghost atoms - comm->forward_comm_fix(this); + comm->forward_comm(this); // compute grain boundary force on each owned atom // skip atoms not in group diff --git a/src/ORIENT/fix_orient_eco.cpp b/src/ORIENT/fix_orient_eco.cpp index 55486adc37..61d26e597d 100644 --- a/src/ORIENT/fix_orient_eco.cpp +++ b/src/ORIENT/fix_orient_eco.cpp @@ -344,7 +344,7 @@ void FixOrientECO::post_force(int /* vflag */) { // potential is not zero if (u_0 != 0.0) { // communicate to acquire nbr data for ghost atoms - comm->forward_comm_fix(this); + comm->forward_comm(this); // loop over all atoms for (ii = 0; ii < inum; ++ii) { diff --git a/src/ORIENT/fix_orient_fcc.cpp b/src/ORIENT/fix_orient_fcc.cpp index c5fe269e5b..1fb3ac597d 100644 --- a/src/ORIENT/fix_orient_fcc.cpp +++ b/src/ORIENT/fix_orient_fcc.cpp @@ -370,7 +370,7 @@ void FixOrientFCC::post_force(int /*vflag*/) // communicate to acquire nbr data for ghost atoms - comm->forward_comm_fix(this); + comm->forward_comm(this); // compute grain boundary force on each owned atom // skip atoms not in group diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp index 47cb183a7d..2ecf283d07 100644 --- a/src/PERI/fix_peri_neigh.cpp +++ b/src/PERI/fix_peri_neigh.cpp @@ -372,7 +372,7 @@ void FixPeriNeigh::setup(int /*vflag*/) // communicate wvolume to ghosts - comm->forward_comm_fix(this); + comm->forward_comm(this); // bond statistics diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp index 175adadb47..19d73b0aed 100644 --- a/src/PERI/pair_peri_eps.cpp +++ b/src/PERI/pair_peri_eps.cpp @@ -193,12 +193,12 @@ void PairPeriEPS::compute(int eflag, int vflag) compute_dilatation(0,nlocal); // communicate dilatation (theta) of each particle - comm->forward_comm_pair(this); + comm->forward_comm(this); // communicate weighted volume (wvolume) upon every reneighbor if (neighbor->ago == 0) - comm->forward_comm_fix(fix_peri_neigh); + comm->forward_comm(fix_peri_neigh); // volume-dependent part of the energy diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp index c0136ff586..e63125fe1a 100644 --- a/src/PERI/pair_peri_lps.cpp +++ b/src/PERI/pair_peri_lps.cpp @@ -173,10 +173,10 @@ void PairPeriLPS::compute(int eflag, int vflag) compute_dilatation(0,nlocal); // communicate dilatation (theta) of each particle - comm->forward_comm_pair(this); + comm->forward_comm(this); // communicate wighted volume (wvolume) upon every reneighbor if (neighbor->ago == 0) - comm->forward_comm_fix(fix_peri_neigh); + comm->forward_comm(fix_peri_neigh); // Volume-dependent part of the energy if (eflag) { diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp index f0ae16899d..a7df5f4659 100644 --- a/src/PERI/pair_peri_ves.cpp +++ b/src/PERI/pair_peri_ves.cpp @@ -178,12 +178,12 @@ void PairPeriVES::compute(int eflag, int vflag) compute_dilatation(0,nlocal); // communicate dilatation (theta) of each particle - comm->forward_comm_pair(this); + comm->forward_comm(this); // communicate weighted volume (wvolume) upon every reneighbor if (neighbor->ago == 0) - comm->forward_comm_fix(fix_peri_neigh); + comm->forward_comm(fix_peri_neigh); // volume-dependent part of the energy diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp index 8c6be2f1c6..5365c05121 100644 --- a/src/QEQ/fix_qeq.cpp +++ b/src/QEQ/fix_qeq.cpp @@ -414,7 +414,7 @@ int FixQEq::CG(double *b, double *x) sig_new = parallel_dot(r, d, inum); for (loop = 1; loop < maxiter && sqrt(sig_new)/b_norm > tolerance; ++loop) { - comm->forward_comm_fix(this); + comm->forward_comm(this); sparse_matvec(&H, d, q); comm->reverse_comm_fix(this); @@ -507,7 +507,7 @@ void FixQEq::calculate_Q() } pack_flag = 4; - comm->forward_comm_fix(this); //Dist_vector(atom->q); + comm->forward_comm(this); //Dist_vector(atom->q); } /* ---------------------------------------------------------------------- */ diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index 689ecfb026..331d9f38bd 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -118,7 +118,7 @@ void FixQEqDynamic::pre_force(int /*vflag*/) } pack_flag = 1; - comm->forward_comm_fix(this); + comm->forward_comm(this); enegtot = compute_eneg(); enegtot /= ngroup; @@ -184,7 +184,7 @@ double FixQEqDynamic::compute_eneg() // communicating charge force to all nodes, first forward then reverse pack_flag = 2; - comm->forward_comm_fix(this); + comm->forward_comm(this); for (ii = 0; ii < inum; ii++) { i = ilist[ii]; diff --git a/src/QEQ/fix_qeq_fire.cpp b/src/QEQ/fix_qeq_fire.cpp index 4e42ebc05e..4e339f2e1d 100644 --- a/src/QEQ/fix_qeq_fire.cpp +++ b/src/QEQ/fix_qeq_fire.cpp @@ -126,7 +126,7 @@ void FixQEqFire::pre_force(int /*vflag*/) for (iloop = 0; iloop < maxiter; iloop ++) { pack_flag = 1; - comm->forward_comm_fix(this); + comm->forward_comm(this); if (comb) { comb->yasu_char(qf,igroup); @@ -245,7 +245,7 @@ double FixQEqFire::compute_eneg() // communicating charge force to all nodes, first forward then reverse pack_flag = 2; - comm->forward_comm_fix(this); + comm->forward_comm(this); for (ii = 0; ii < inum; ii++) { i = ilist[ii]; diff --git a/src/QEQ/fix_qeq_point.cpp b/src/QEQ/fix_qeq_point.cpp index 0c9115994c..3cb3e3ee35 100644 --- a/src/QEQ/fix_qeq_point.cpp +++ b/src/QEQ/fix_qeq_point.cpp @@ -107,9 +107,9 @@ void FixQEqPoint::init_matvec() } pack_flag = 2; - comm->forward_comm_fix(this); //Dist_vector(s); + comm->forward_comm(this); //Dist_vector(s); pack_flag = 3; - comm->forward_comm_fix(this); //Dist_vector(t); + comm->forward_comm(this); //Dist_vector(t); } /* ---------------------------------------------------------------------- */ diff --git a/src/QEQ/fix_qeq_shielded.cpp b/src/QEQ/fix_qeq_shielded.cpp index f2738051e8..3a1f114cfb 100644 --- a/src/QEQ/fix_qeq_shielded.cpp +++ b/src/QEQ/fix_qeq_shielded.cpp @@ -168,9 +168,9 @@ void FixQEqShielded::init_matvec() } pack_flag = 2; - comm->forward_comm_fix(this); //Dist_vector(s); + comm->forward_comm(this); //Dist_vector(s); pack_flag = 3; - comm->forward_comm_fix(this); //Dist_vector(t); + comm->forward_comm(this); //Dist_vector(t); } /* ---------------------------------------------------------------------- */ diff --git a/src/QEQ/fix_qeq_slater.cpp b/src/QEQ/fix_qeq_slater.cpp index e276727f01..9f22d97683 100644 --- a/src/QEQ/fix_qeq_slater.cpp +++ b/src/QEQ/fix_qeq_slater.cpp @@ -146,9 +146,9 @@ void FixQEqSlater::init_matvec() } pack_flag = 2; - comm->forward_comm_fix(this); //Dist_vector(s); + comm->forward_comm(this); //Dist_vector(s); pack_flag = 3; - comm->forward_comm_fix(this); //Dist_vector(t); + comm->forward_comm(this); //Dist_vector(t); } /* ---------------------------------------------------------------------- */ diff --git a/src/REACTION/fix_bond_react.cpp b/src/REACTION/fix_bond_react.cpp index 1652dcc157..0cf3f6c6ea 100644 --- a/src/REACTION/fix_bond_react.cpp +++ b/src/REACTION/fix_bond_react.cpp @@ -942,7 +942,7 @@ void FixBondReact::post_integrate() // forward comm of partner, so ghosts have it commflag = 2; - comm->forward_comm_fix(this,1); + comm->forward_comm(this,1); // consider for reaction: // only if both atoms list each other as winning bond partner @@ -975,7 +975,7 @@ void FixBondReact::post_integrate() // communicate final partner commflag = 3; - comm->forward_comm_fix(this); + comm->forward_comm(this); // add instance to 'attempt' only if this processor // owns the atoms with smaller global ID @@ -1028,7 +1028,7 @@ void FixBondReact::post_integrate() // evaluate custom constraint variable values here and forward_comm get_customvars(); commflag = 1; - comm->forward_comm_fix(this,ncustomvars); + comm->forward_comm(this,ncustomvars); // run through the superimpose algorithm // this checks if simulation topology matches unreacted mol template diff --git a/src/REAXFF/fix_acks2_reaxff.cpp b/src/REAXFF/fix_acks2_reaxff.cpp index ee017b8be0..eca4c1ed0d 100644 --- a/src/REAXFF/fix_acks2_reaxff.cpp +++ b/src/REAXFF/fix_acks2_reaxff.cpp @@ -405,7 +405,7 @@ void FixACKS2ReaxFF::init_matvec() } pack_flag = 2; - comm->forward_comm_fix(this); //Dist_vector(s); + comm->forward_comm(this); //Dist_vector(s); more_forward_comm(s); } @@ -543,7 +543,7 @@ int FixACKS2ReaxFF::BiCGStab(double *b, double *x) } pack_flag = 1; - comm->forward_comm_fix(this); //Dist_vector(d); + comm->forward_comm(this); //Dist_vector(d); more_forward_comm(d); sparse_matvec_acks2(&H, &X, d, z); pack_flag = 2; @@ -578,7 +578,7 @@ int FixACKS2ReaxFF::BiCGStab(double *b, double *x) } pack_flag = 3; - comm->forward_comm_fix(this); //Dist_vector(q_hat); + comm->forward_comm(this); //Dist_vector(q_hat); more_forward_comm(q_hat); sparse_matvec_acks2(&H, &X, q_hat, y); pack_flag = 3; @@ -699,7 +699,7 @@ void FixACKS2ReaxFF::calculate_Q() } pack_flag = 2; - comm->forward_comm_fix(this); //Dist_vector(s); + comm->forward_comm(this); //Dist_vector(s); for (int ii = 0; ii < NN; ++ii) { i = ilist[ii]; diff --git a/src/REAXFF/fix_qeq_reaxff.cpp b/src/REAXFF/fix_qeq_reaxff.cpp index 361c6e9ce6..23c487e61d 100644 --- a/src/REAXFF/fix_qeq_reaxff.cpp +++ b/src/REAXFF/fix_qeq_reaxff.cpp @@ -625,9 +625,9 @@ void FixQEqReaxFF::init_matvec() } pack_flag = 2; - comm->forward_comm_fix(this); //Dist_vector(s); + comm->forward_comm(this); //Dist_vector(s); pack_flag = 3; - comm->forward_comm_fix(this); //Dist_vector(t); + comm->forward_comm(this); //Dist_vector(t); } /* ---------------------------------------------------------------------- */ @@ -738,7 +738,7 @@ int FixQEqReaxFF::CG(double *b, double *x) sig_new = parallel_dot(r, d, nn); for (i = 1; i < imax && sqrt(sig_new) / b_norm > tolerance; ++i) { - comm->forward_comm_fix(this); //Dist_vector(d); + comm->forward_comm(this); //Dist_vector(d); sparse_matvec(&H, d, q); comm->reverse_comm_fix(this); //Coll_vector(q); @@ -832,7 +832,7 @@ void FixQEqReaxFF::calculate_Q() } pack_flag = 4; - comm->forward_comm_fix(this); //Dist_vector(atom->q); + comm->forward_comm(this); //Dist_vector(atom->q); } /* ---------------------------------------------------------------------- */ diff --git a/src/REAXFF/fix_reaxff_species.cpp b/src/REAXFF/fix_reaxff_species.cpp index ac556ade9e..4451c4361d 100644 --- a/src/REAXFF/fix_reaxff_species.cpp +++ b/src/REAXFF/fix_reaxff_species.cpp @@ -413,7 +413,7 @@ void FixReaxFFSpecies::FindMolecule () loop = 0; while (true) { - comm->forward_comm_fix(this); + comm->forward_comm(this); loop ++; change = 0; diff --git a/src/REAXFF/pair_reaxff.cpp b/src/REAXFF/pair_reaxff.cpp index f7b4056427..22711412fb 100644 --- a/src/REAXFF/pair_reaxff.cpp +++ b/src/REAXFF/pair_reaxff.cpp @@ -450,7 +450,7 @@ void PairReaxFF::compute(int eflag, int vflag) // communicate num_bonds once every reneighboring // 2 num arrays stored by fix, grab ptr to them - if (neighbor->ago == 0) comm->forward_comm_fix(fix_reaxff); + if (neighbor->ago == 0) comm->forward_comm(fix_reaxff); int *num_bonds = fix_reaxff->num_bonds; int *num_hbonds = fix_reaxff->num_hbonds; diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp index b506ef4f4a..e0c9e7b96b 100644 --- a/src/REPLICA/fix_hyper_local.cpp +++ b/src/REPLICA/fix_hyper_local.cpp @@ -529,7 +529,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */) commflag = STRAIN; comm->reverse_comm_fix(this); - comm->forward_comm_fix(this); + comm->forward_comm(this); //time3 = platform::walltime(); @@ -644,7 +644,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */) commflag = STRAINDOMAIN; comm->reverse_comm_fix(this); - comm->forward_comm_fix(this); + comm->forward_comm(this); //time5 = platform::walltime(); @@ -832,7 +832,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */) commflag = BIASFLAG; comm->reverse_comm_fix(this); - comm->forward_comm_fix(this); + comm->forward_comm(this); // loop over Dcut full neighbor list // I and J may be ghost atoms diff --git a/src/REPLICA/fix_pimd.cpp b/src/REPLICA/fix_pimd.cpp index d4b3447f15..b84558acdb 100644 --- a/src/REPLICA/fix_pimd.cpp +++ b/src/REPLICA/fix_pimd.cpp @@ -502,7 +502,7 @@ void FixPIMD::nmpimd_init() void FixPIMD::nmpimd_fill(double **ptr) { comm_ptr = ptr; - comm->forward_comm_fix(this); + comm->forward_comm(this); } /* ---------------------------------------------------------------------- */ diff --git a/src/RIGID/fix_rattle.cpp b/src/RIGID/fix_rattle.cpp index 9143c48116..afe08415c3 100644 --- a/src/RIGID/fix_rattle.cpp +++ b/src/RIGID/fix_rattle.cpp @@ -158,7 +158,7 @@ void FixRattle::post_force(int vflag) if (nprocs > 1) { comm_mode = VP; - comm->forward_comm_fix(this); + comm->forward_comm(this); } // correct the velocity for each molecule accordingly @@ -190,7 +190,7 @@ void FixRattle::post_force_respa(int vflag, int ilevel, int /*iloop*/) if (nprocs > 1) { comm_mode = VP; - comm->forward_comm_fix(this); + comm->forward_comm(this); } // correct the velocity for each molecule accordingly @@ -720,7 +720,7 @@ void FixRattle::shake_end_of_step(int vflag) { if (nprocs > 1) { comm_mode = V; - comm->forward_comm_fix(this); + comm->forward_comm(this); } comm_mode = XSHAKE; @@ -761,7 +761,7 @@ void FixRattle::correct_velocities() { if (nprocs > 1) { comm_mode = VP; - comm->forward_comm_fix(this); + comm->forward_comm(this); } // correct the velocity for each molecule accordingly @@ -790,7 +790,7 @@ void FixRattle::end_of_step() { if (nprocs > 1) { comm_mode = V; - comm->forward_comm_fix(this); + comm->forward_comm(this); } if (!check_constraints(v, RATTLE_TEST_POS, RATTLE_TEST_VEL) && RATTLE_RAISE_ERROR) { error->one(FLERR, "Rattle failed "); diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index 2392c5e417..105b24f83b 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -551,7 +551,7 @@ void FixRigidNHSmall::initial_integrate(int vflag) // forward communicate updated info of all bodies commflag = INITIAL; - comm->forward_comm_fix(this,26); + comm->forward_comm(this,26); // accumulate translational and rotational kinetic energies @@ -699,7 +699,7 @@ void FixRigidNHSmall::final_integrate() // forward communicate updated info of all bodies commflag = FINAL; - comm->forward_comm_fix(this,10); + comm->forward_comm(this,10); // accumulate translational and rotational kinetic energies diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index e09d4eb569..67daea97dc 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -721,7 +721,7 @@ void FixRigidSmall::setup(int vflag) } commflag = FINAL; - comm->forward_comm_fix(this,10); + comm->forward_comm(this,10); // set velocity/rotation of atoms in rigid bodues @@ -786,7 +786,7 @@ void FixRigidSmall::initial_integrate(int vflag) // forward communicate updated info of all bodies commflag = INITIAL; - comm->forward_comm_fix(this,29); + comm->forward_comm(this,29); // set coords/orient and velocity/rotation of atoms in rigid bodies @@ -1036,7 +1036,7 @@ void FixRigidSmall::final_integrate() // forward communicate updated info of all bodies commflag = FINAL; - comm->forward_comm_fix(this,10); + comm->forward_comm(this,10); // set velocity/rotation of atoms in rigid bodies // virial is already setup from initial_integrate @@ -1096,7 +1096,7 @@ void FixRigidSmall::pre_neighbor() nghost_body = 0; commflag = FULL_BODY; - comm->forward_comm_fix(this); + comm->forward_comm(this); reset_atom2body(); //check(4); @@ -1913,7 +1913,7 @@ void FixRigidSmall::setup_bodies_static() nghost_body = 0; commflag = FULL_BODY; - comm->forward_comm_fix(this); + comm->forward_comm(this); reset_atom2body(); // compute mass & center-of-mass of each rigid body @@ -2168,7 +2168,7 @@ void FixRigidSmall::setup_bodies_static() // forward communicate updated info of all bodies commflag = INITIAL; - comm->forward_comm_fix(this,29); + comm->forward_comm(this,29); // displace = initial atom coords in basis of principal axes // set displace = 0.0 for atoms not in any rigid body @@ -3407,7 +3407,7 @@ void FixRigidSmall::zero_momentum() // forward communicate of vcm to all ghost copies commflag = FINAL; - comm->forward_comm_fix(this,10); + comm->forward_comm(this,10); // set velocity of atoms in rigid bodues @@ -3433,7 +3433,7 @@ void FixRigidSmall::zero_rotation() // forward communicate of omega to all ghost copies commflag = FINAL; - comm->forward_comm_fix(this,10); + comm->forward_comm(this,10); // set velocity of atoms in rigid bodues diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp index 0904312a75..0f13e3c70b 100644 --- a/src/RIGID/fix_shake.cpp +++ b/src/RIGID/fix_shake.cpp @@ -574,7 +574,7 @@ void FixShake::post_force(int vflag) // communicate results if necessary unconstrained_update(); - if (nprocs > 1) comm->forward_comm_fix(this); + if (nprocs > 1) comm->forward_comm(this); // virial setup @@ -618,7 +618,7 @@ void FixShake::post_force_respa(int vflag, int ilevel, int iloop) // communicate results if necessary unconstrained_update_respa(ilevel); - if (nprocs > 1) comm->forward_comm_fix(this); + if (nprocs > 1) comm->forward_comm(this); // virial setup only needed on last iteration of innermost level // and if pressure is requested @@ -3110,7 +3110,7 @@ void FixShake::correct_coordinates(int vflag) { double **xtmp = xshake; xshake = x; if (nprocs > 1) { - comm->forward_comm_fix(this); + comm->forward_comm(this); } xshake = xtmp; } diff --git a/src/SMTBQ/pair_smtbq.cpp b/src/SMTBQ/pair_smtbq.cpp index 8922173433..62c4f40ce3 100644 --- a/src/SMTBQ/pair_smtbq.cpp +++ b/src/SMTBQ/pair_smtbq.cpp @@ -3397,7 +3397,7 @@ void PairSMTBQ::forward(double *tab) for (i=0; iforward_comm_pair(this); + comm->forward_comm(this); for (i=0; i(tab[i]);} - comm->forward_comm_pair(this); + comm->forward_comm(this); for (i=0; i 0.1) tab[i] = int(tab_comm[i]) ; } diff --git a/src/SPH/pair_sph_rhosum.cpp b/src/SPH/pair_sph_rhosum.cpp index 6d052eff01..09ec206b58 100644 --- a/src/SPH/pair_sph_rhosum.cpp +++ b/src/SPH/pair_sph_rhosum.cpp @@ -196,7 +196,7 @@ void PairSPHRhoSum::compute(int eflag, int vflag) { } // communicate densities - comm->forward_comm_pair(this); + comm->forward_comm(this); } /* ---------------------------------------------------------------------- diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp index 2be02e3d2a..c95d8da491 100644 --- a/src/VORONOI/compute_voronoi_atom.cpp +++ b/src/VORONOI/compute_voronoi_atom.cpp @@ -332,7 +332,7 @@ void ComputeVoronoi::buildCells() input->variable->compute_atom(radvar,0,rfield,1,0); // communicate values to ghost atoms of neighboring nodes - comm->forward_comm_compute(this); + comm->forward_comm(this); // polydisperse voro++ container delete con_poly; diff --git a/src/comm.h b/src/comm.h index e2df05a938..cba4b6f8be 100644 --- a/src/comm.h +++ b/src/comm.h @@ -82,14 +82,14 @@ class Comm : protected Pointers { // forward/reverse comm from a Pair, Fix, Compute, Dump - virtual void forward_comm_pair(class Pair *) = 0; + virtual void forward_comm(class Pair *) = 0; virtual void reverse_comm_pair(class Pair *) = 0; - virtual void forward_comm_fix(class Fix *, int size = 0) = 0; + virtual void forward_comm(class Fix *, int size = 0) = 0; virtual void reverse_comm_fix(class Fix *, int size = 0) = 0; virtual void reverse_comm_fix_variable(class Fix *) = 0; - virtual void forward_comm_compute(class Compute *) = 0; + virtual void forward_comm(class Compute *) = 0; virtual void reverse_comm_compute(class Compute *) = 0; - virtual void forward_comm_dump(class Dump *) = 0; + virtual void forward_comm(class Dump *) = 0; virtual void reverse_comm_dump(class Dump *) = 0; // forward comm of an array diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp index 8f5cab723b..ec8384f89b 100644 --- a/src/comm_brick.cpp +++ b/src/comm_brick.cpp @@ -1001,7 +1001,7 @@ void CommBrick::borders() nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommBrick::forward_comm_pair(Pair *pair) +void CommBrick::forward_comm(Pair *pair) { int iswap,n; double *buf; @@ -1082,7 +1082,7 @@ void CommBrick::reverse_comm_pair(Pair *pair) some are smaller than max stored in its comm_forward ------------------------------------------------------------------------- */ -void CommBrick::forward_comm_fix(Fix *fix, int size) +void CommBrick::forward_comm(Fix *fix, int size) { int iswap,n,nsize; double *buf; @@ -1210,7 +1210,7 @@ void CommBrick::reverse_comm_fix_variable(Fix *fix) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommBrick::forward_comm_compute(Compute *compute) +void CommBrick::forward_comm(Compute *compute) { int iswap,n; double *buf; @@ -1287,7 +1287,7 @@ void CommBrick::reverse_comm_compute(Compute *compute) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommBrick::forward_comm_dump(Dump *dump) +void CommBrick::forward_comm(Dump *dump) { int iswap,n; double *buf; diff --git a/src/comm_brick.h b/src/comm_brick.h index 43325846e5..2376e13bf5 100644 --- a/src/comm_brick.h +++ b/src/comm_brick.h @@ -31,17 +31,17 @@ class CommBrick : public Comm { void exchange() override; // move atoms to new procs void borders() override; // setup list of atoms to comm - void forward_comm_pair(class Pair *) override; // forward comm from a Pair + void forward_comm(class Pair *) override; // forward comm from a Pair void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair - void forward_comm_fix(class Fix *, int size = 0) override; + void forward_comm(class Fix *, int size = 0) override; // forward comm from a Fix void reverse_comm_fix(class Fix *, int size = 0) override; // reverse comm from a Fix void reverse_comm_fix_variable(class Fix *) override; // variable size reverse comm from a Fix - void forward_comm_compute(class Compute *) override; // forward from a Compute + void forward_comm(class Compute *) override; // forward from a Compute void reverse_comm_compute(class Compute *) override; // reverse from a Compute - void forward_comm_dump(class Dump *) override; // forward comm from a Dump + void forward_comm(class Dump *) override; // forward comm from a Dump void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index 28ef37b008..1dce58b1c1 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -1375,7 +1375,7 @@ void CommTiled::borders() nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiled::forward_comm_pair(Pair *pair) +void CommTiled::forward_comm(Pair *pair) { int i,irecv,n,nsend,nrecv; @@ -1472,7 +1472,7 @@ void CommTiled::reverse_comm_pair(Pair *pair) some are smaller than max stored in its comm_forward ------------------------------------------------------------------------- */ -void CommTiled::forward_comm_fix(Fix *fix, int size) +void CommTiled::forward_comm(Fix *fix, int size) { int i,irecv,n,nsize,nsend,nrecv; @@ -1581,7 +1581,7 @@ void CommTiled::reverse_comm_fix_variable(Fix * /*fix*/) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiled::forward_comm_compute(Compute *compute) +void CommTiled::forward_comm(Compute *compute) { int i,irecv,n,nsend,nrecv; @@ -1675,7 +1675,7 @@ void CommTiled::reverse_comm_compute(Compute *compute) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiled::forward_comm_dump(Dump *dump) +void CommTiled::forward_comm(Dump *dump) { int i,irecv,n,nsend,nrecv; diff --git a/src/comm_tiled.h b/src/comm_tiled.h index 2094e3e931..2c4d64fce8 100644 --- a/src/comm_tiled.h +++ b/src/comm_tiled.h @@ -31,17 +31,17 @@ class CommTiled : public Comm { void exchange() override; // move atoms to new procs void borders() override; // setup list of atoms to comm - void forward_comm_pair(class Pair *) override; // forward comm from a Pair + void forward_comm(class Pair *) override; // forward comm from a Pair void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair - void forward_comm_fix(class Fix *, int size = 0) override; + void forward_comm(class Fix *, int size = 0) override; // forward comm from a Fix void reverse_comm_fix(class Fix *, int size = 0) override; // reverse comm from a Fix void reverse_comm_fix_variable(class Fix *) override; // variable size reverse comm from a Fix - void forward_comm_compute(class Compute *) override; // forward from a Compute + void forward_comm(class Compute *) override; // forward from a Compute void reverse_comm_compute(class Compute *) override; // reverse from a Compute - void forward_comm_dump(class Dump *) override; // forward comm from a Dump + void forward_comm(class Dump *) override; // forward comm from a Dump void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index cb39f61ce0..141c39002b 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -132,7 +132,7 @@ void ComputeAggregateAtom::compute_peratom() if (group->dynamic[igroup]) { commflag = 0; - comm->forward_comm_compute(this); + comm->forward_comm(this); } // each atom starts in its own aggregate, @@ -167,7 +167,7 @@ void ComputeAggregateAtom::compute_peratom() int change,done,anychange; while (true) { - comm->forward_comm_compute(this); + comm->forward_comm(this); // reverse communication when bonds are not stored on every processor diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp index 7c60df057f..11a8ed7148 100644 --- a/src/compute_bond_local.cpp +++ b/src/compute_bond_local.cpp @@ -260,7 +260,7 @@ int ComputeBondLocal::compute_bonds(int flag) // communicate ghost velocities if needed - if (ghostvelflag && !initflag) comm->forward_comm_compute(this); + if (ghostvelflag && !initflag) comm->forward_comm(this); // loop over all atoms and their bonds diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index ca3fe1f453..c429ba5cac 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -131,14 +131,14 @@ void ComputeClusterAtom::compute_peratom() if (update->post_integrate) { commflag = COORDS; - comm->forward_comm_compute(this); + comm->forward_comm(this); } // if group is dynamic, insure ghost atom masks are current if (group->dynamic[igroup]) { commflag = MASK; - comm->forward_comm_compute(this); + comm->forward_comm(this); } // every atom starts in its own cluster, with clusterID = atomID @@ -165,7 +165,7 @@ void ComputeClusterAtom::compute_peratom() int change,done,anychange; while (true) { - comm->forward_comm_compute(this); + comm->forward_comm(this); change = 0; while (true) { diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index b61f158d0d..45784205d3 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -200,7 +200,7 @@ void ComputeCoordAtom::compute_peratom() } nqlist = c_orientorder->nqlist; normv = c_orientorder->array_atom; - comm->forward_comm_compute(this); + comm->forward_comm(this); } // invoke full neighbor list (will copy or build if necessary) diff --git a/src/compute_fragment_atom.cpp b/src/compute_fragment_atom.cpp index d361e29d41..8317d8251d 100644 --- a/src/compute_fragment_atom.cpp +++ b/src/compute_fragment_atom.cpp @@ -121,7 +121,7 @@ void ComputeFragmentAtom::compute_peratom() if (group->dynamic[igroup]) { commflag = 0; - comm->forward_comm_compute(this); + comm->forward_comm(this); } // owned + ghost atoms start with fragmentID = atomID @@ -153,7 +153,7 @@ void ComputeFragmentAtom::compute_peratom() while (true) { iteration++; - comm->forward_comm_compute(this); + comm->forward_comm(this); done = 1; // set markflag = 0 for all owned atoms, for new iteration diff --git a/src/dump_image.cpp b/src/dump_image.cpp index 9aecb58120..e4d55e2798 100644 --- a/src/dump_image.cpp +++ b/src/dump_image.cpp @@ -898,7 +898,7 @@ void DumpImage::create_image() } } - comm->forward_comm_dump(this); + comm->forward_comm(this); for (i = 0; i < nchoose; i++) { atom1 = clist[i];