diff --git a/src/core/CellStructure.hpp b/src/core/CellStructure.hpp index df3be97142f..e54b5463516 100644 --- a/src/core/CellStructure.hpp +++ b/src/core/CellStructure.hpp @@ -504,7 +504,7 @@ struct CellStructure { * @brief Set the particle decomposition to HybridDecomposition. * */ - void set_hybrid_decomposition(boost::mpi::communicator const &comm, + void set_hybrid_decomposition(boost::mpi::communicator const &comm, double range, BoxGeometry const &box, LocalBox const &local_geo); diff --git a/src/core/HybridDecomposition.cpp b/src/core/HybridDecomposition.cpp index a9208f19a2b..ab50c7b32b3 100644 --- a/src/core/HybridDecomposition.cpp +++ b/src/core/HybridDecomposition.cpp @@ -29,8 +29,8 @@ HybridDecomposition::HybridDecomposition(boost::mpi::communicator comm, const BoxGeometry &box_geo, const LocalBox &local_box) : m_comm(std::move(comm)), m_box(box_geo), - m_domain_decomposition(DomainDecomposition(m_comm, range, - m_box, local_box)), + m_domain_decomposition( + DomainDecomposition(m_comm, range, m_box, local_box)), m_n_square(AtomDecomposition(m_comm, m_box)) { /* Vector containing cells of both child decompositions */ @@ -52,10 +52,11 @@ HybridDecomposition::HybridDecomposition(boost::mpi::communicator comm, exchange_ghosts_comm_n_square.communications.end(), std::back_inserter(m_exchange_ghosts_comm.communications)); - m_collect_ghost_force_comm = m_domain_decomposition.collect_ghost_force_comm(); - auto collect_ghost_force_comm_n_square = m_n_square.collect_ghost_force_comm(); + m_collect_ghost_force_comm = + m_domain_decomposition.collect_ghost_force_comm(); + auto collect_ghost_force_comm_n_square = + m_n_square.collect_ghost_force_comm(); std::copy(collect_ghost_force_comm_n_square.communications.begin(), collect_ghost_force_comm_n_square.communications.end(), std::back_inserter(m_collect_ghost_force_comm.communications)); - } diff --git a/src/core/HybridDecomposition.hpp b/src/core/HybridDecomposition.hpp index c5f2bf96bcd..9817037f422 100644 --- a/src/core/HybridDecomposition.hpp +++ b/src/core/HybridDecomposition.hpp @@ -22,10 +22,10 @@ #ifndef ESPRESSO_HYBRID_DECOMPOSITION_HPP #define ESPRESSO_HYBRID_DECOMPOSITION_HPP +#include "AtomDecomposition.hpp" +#include "DomainDecomposition.hpp" #include "Particle.hpp" #include "ParticleDecomposition.hpp" -#include "DomainDecomposition.hpp" -#include "AtomDecomposition.hpp" #include "ghosts.hpp" #include @@ -38,7 +38,6 @@ #include #include - class HybridDecomposition : public ParticleDecomposition { boost::mpi::communicator m_comm; BoxGeometry m_box; @@ -95,8 +94,7 @@ class HybridDecomposition : public ParticleDecomposition { Cell *id_to_cell; if (m_n_square_types.find(p.identity()) != m_n_square_types.end()) { id_to_cell = m_domain_decomposition.particle_to_cell(p); - } - else { + } else { id_to_cell = m_n_square.particle_to_cell(p); } return id_to_cell; @@ -105,15 +103,11 @@ class HybridDecomposition : public ParticleDecomposition { Utils::Vector3d max_cutoff() const override { return m_n_square.max_cutoff(); } - - Utils::Vector3d max_range() const override { - return m_n_square.max_range(); - } + Utils::Vector3d max_range() const override { return m_n_square.max_range(); } boost::optional minimum_image_distance() const override { return m_box; } - }; #endif // ESPRESSO_HYBRID_DECOMPOSITION_HPP diff --git a/src/python/espressomd/cellsystem.pyx b/src/python/espressomd/cellsystem.pyx index a76e3e38bcb..2d3d2d9abdc 100644 --- a/src/python/espressomd/cellsystem.pyx +++ b/src/python/espressomd/cellsystem.pyx @@ -63,7 +63,8 @@ cdef class CellSystem: return True - def set_hybrid_decomposition(self, n_square_types=[], use_verlet_lists=True): + def set_hybrid_decomposition( + self, n_square_types=[], use_verlet_lists=True): """ Activates the hybrid domain decomposition.