diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 71c7b134d7..d41632080a 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -18,7 +18,7 @@ repos: language: pygrep types_or: [python, c, c++, cuda, inc] - repo: https://github.com/pre-commit/pre-commit-hooks - rev: 'v4.6.0' + rev: 'v5.0.0' hooks: - id: end-of-file-fixer exclude_types: [svg] @@ -30,7 +30,7 @@ repos: - id: check-case-conflict - id: mixed-line-ending - repo: https://github.com/glotzerlab/fix-license-header - rev: v0.4.0 + rev: v0.4.1 hooks: - id: fix-license-header name: Fix license headers @@ -55,7 +55,7 @@ repos: hooks: - id: yapf - repo: https://github.com/PyCQA/flake8 - rev: '7.1.0' + rev: '7.1.1' hooks: - id: flake8 additional_dependencies: @@ -72,7 +72,7 @@ repos: ^hoomd/metal/ ) - repo: https://github.com/pre-commit/mirrors-clang-format - rev: v18.1.8 + rev: v19.1.1 hooks: - id: clang-format types_or: [c, c++, cuda, inc] diff --git a/hoomd/Analyzer.h b/hoomd/Analyzer.h index af4352a40e..e8e706a3c4 100644 --- a/hoomd/Analyzer.h +++ b/hoomd/Analyzer.h @@ -59,7 +59,7 @@ class PYBIND11_EXPORT Analyzer : public Action public: //! Constructs the analyzer and associates it with the ParticleData Analyzer(std::shared_ptr sysdef, std::shared_ptr trigger); - virtual ~Analyzer() {}; + virtual ~Analyzer() { }; //! Abstract method that performs the analysis /*! Derived classes will implement this method to calculate their results @@ -89,7 +89,7 @@ class PYBIND11_EXPORT Analyzer : public Action } /// Python will notify C++ objects when they are detached from Simulation - virtual void notifyDetach() {}; + virtual void notifyDetach() { }; /// Get Trigger std::shared_ptr getTrigger() diff --git a/hoomd/Autotuner.h b/hoomd/Autotuner.h index 0508d30086..ea876a22e6 100644 --- a/hoomd/Autotuner.h +++ b/hoomd/Autotuner.h @@ -76,7 +76,7 @@ class PYBIND11_EXPORT AutotunerBase } /// Set autother parameters from a Python tuple. - virtual void setParameterPython(pybind11::tuple parameter) {}; + virtual void setParameterPython(pybind11::tuple parameter) { }; #endif #ifdef ENABLE_HIP diff --git a/hoomd/CellListGPU.h b/hoomd/CellListGPU.h index c657e40c1d..30e2cad3f8 100644 --- a/hoomd/CellListGPU.h +++ b/hoomd/CellListGPU.h @@ -30,7 +30,7 @@ class PYBIND11_EXPORT CellListGPU : public CellList //! Construct a cell list CellListGPU(std::shared_ptr sysdef); - virtual ~CellListGPU() {}; + virtual ~CellListGPU() { }; //! Request a multi-GPU cell list virtual void setPerDevice(bool per_device) diff --git a/hoomd/Compute.h b/hoomd/Compute.h index 8a2d7d3708..3c490e09e1 100644 --- a/hoomd/Compute.h +++ b/hoomd/Compute.h @@ -83,7 +83,7 @@ class PYBIND11_EXPORT Compute : public Action void forceCompute(uint64_t timestep); /// Python will notify C++ objects when they are detached from Simulation - virtual void notifyDetach() {}; + virtual void notifyDetach() { }; protected: bool m_force_compute; //!< true if calculation is enforced diff --git a/hoomd/GPUArray.h b/hoomd/GPUArray.h index 380660877a..2a5cda55d6 100644 --- a/hoomd/GPUArray.h +++ b/hoomd/GPUArray.h @@ -272,7 +272,7 @@ template class GPUArrayBase private: // Make constructor private to prevent mistakes - GPUArrayBase() {}; + GPUArrayBase() { }; friend Derived; }; diff --git a/hoomd/GPUFlags.h b/hoomd/GPUFlags.h index 17e867af69..1f28ef318f 100644 --- a/hoomd/GPUFlags.h +++ b/hoomd/GPUFlags.h @@ -273,7 +273,7 @@ template void GPUFlags::deallocate() if (h_data == NULL) return; - // free memory + // free memory #ifdef ENABLE_HIP if (m_exec_conf && m_exec_conf->isCUDAEnabled()) { diff --git a/hoomd/HalfStepHook.h b/hoomd/HalfStepHook.h index cfe696dcd3..f0eeae2288 100644 --- a/hoomd/HalfStepHook.h +++ b/hoomd/HalfStepHook.h @@ -24,7 +24,7 @@ class PYBIND11_EXPORT HalfStepHook // Synchronize snapshot with external library after computing forces virtual void update(uint64_t timestep) = 0; - virtual ~HalfStepHook() {}; + virtual ~HalfStepHook() { }; }; } // namespace hoomd diff --git a/hoomd/MPIConfiguration.h b/hoomd/MPIConfiguration.h index 062e308213..ac050fa44e 100644 --- a/hoomd/MPIConfiguration.h +++ b/hoomd/MPIConfiguration.h @@ -45,7 +45,7 @@ class PYBIND11_EXPORT MPIConfiguration ); //! Destructor - virtual ~MPIConfiguration() {}; + virtual ~MPIConfiguration() { }; #ifdef ENABLE_MPI MPI_Comm operator()() const diff --git a/hoomd/Tuner.h b/hoomd/Tuner.h index f81a1f86ce..349b22c75d 100644 --- a/hoomd/Tuner.h +++ b/hoomd/Tuner.h @@ -43,7 +43,7 @@ class PYBIND11_EXPORT Tuner : public Updater public: //! Constructs the compute and associates it with the ParticleData Tuner(std::shared_ptr sysdef, std::shared_ptr trigger); - virtual ~Tuner() {}; + virtual ~Tuner() { }; }; namespace detail diff --git a/hoomd/Updater.h b/hoomd/Updater.h index 293cf6a627..e640ac7192 100644 --- a/hoomd/Updater.h +++ b/hoomd/Updater.h @@ -58,13 +58,13 @@ class PYBIND11_EXPORT Updater : public Action public: //! Constructs the compute and associates it with the ParticleData Updater(std::shared_ptr sysdef, std::shared_ptr trigger); - virtual ~Updater() {}; + virtual ~Updater() { }; //! Abstract method that performs the update /*! Derived classes will implement this method to perform their specific update \param timestep Current time step of the simulation */ - virtual void update(uint64_t timestep) {}; + virtual void update(uint64_t timestep) { }; //! Reset stat counters /*! If derived classes provide statistics for the last run, they should resetStats() to @@ -100,7 +100,7 @@ class PYBIND11_EXPORT Updater : public Action } /// Python will notify C++ objects when they are detached from Simulation - virtual void notifyDetach() {}; + virtual void notifyDetach() { }; /// Return true if updating should trigger a recount of the degrees of freedom. virtual bool mayChangeDegreesOfFreedom(uint64_t timestep) diff --git a/hoomd/filter/ParticleFilter.h b/hoomd/filter/ParticleFilter.h index e4076801e3..bcd1042c18 100644 --- a/hoomd/filter/ParticleFilter.h +++ b/hoomd/filter/ParticleFilter.h @@ -36,7 +36,7 @@ class PYBIND11_EXPORT ParticleFilter { public: /// constructs a base ParticleFilter (does nothing) - ParticleFilter() {}; + ParticleFilter() { }; virtual ~ParticleFilter() { } /** Test if a particle meets the selection criteria. diff --git a/hoomd/filter/ParticleFilterAll.h b/hoomd/filter/ParticleFilterAll.h index 45d6fea6b6..e325763884 100644 --- a/hoomd/filter/ParticleFilterAll.h +++ b/hoomd/filter/ParticleFilterAll.h @@ -13,7 +13,7 @@ class PYBIND11_EXPORT ParticleFilterAll : public ParticleFilter { public: /// Constructs the selector - ParticleFilterAll() : ParticleFilter() {}; + ParticleFilterAll() : ParticleFilter() { }; virtual ~ParticleFilterAll() { } /** Args: diff --git a/hoomd/filter/ParticleFilterCustom.h b/hoomd/filter/ParticleFilterCustom.h index 36c9db7d17..dd7457decf 100644 --- a/hoomd/filter/ParticleFilterCustom.h +++ b/hoomd/filter/ParticleFilterCustom.h @@ -13,7 +13,7 @@ class PYBIND11_EXPORT ParticleFilterCustom : public ParticleFilter public: /// constructs a custom ParticleFilter ParticleFilterCustom(pybind11::object py_filter, pybind11::object state) - : m_py_filter(py_filter), m_state(state) {}; + : m_py_filter(py_filter), m_state(state) { }; virtual ~ParticleFilterCustom() { } diff --git a/hoomd/filter/ParticleFilterNull.h b/hoomd/filter/ParticleFilterNull.h index 874fd209e8..b024631d0c 100644 --- a/hoomd/filter/ParticleFilterNull.h +++ b/hoomd/filter/ParticleFilterNull.h @@ -12,7 +12,7 @@ class PYBIND11_EXPORT ParticleFilterNull : public ParticleFilter { public: /// Constructs the selector - ParticleFilterNull() : ParticleFilter() {}; + ParticleFilterNull() : ParticleFilter() { }; virtual ~ParticleFilterNull() { } /** Args: diff --git a/hoomd/filter/ParticleFilterRigid.h b/hoomd/filter/ParticleFilterRigid.h index 1184980974..030867ddd5 100644 --- a/hoomd/filter/ParticleFilterRigid.h +++ b/hoomd/filter/ParticleFilterRigid.h @@ -49,7 +49,7 @@ class PYBIND11_EXPORT ParticleFilterRigid : public ParticleFilter { public: /// constructs a ParticleFilterRigid - ParticleFilterRigid(RigidBodySelection flag) : m_current_selection {flag} {}; + ParticleFilterRigid(RigidBodySelection flag) : m_current_selection {flag} { }; ParticleFilterRigid(pybind11::tuple flags) : m_current_selection(RigidBodySelection::NONE) { diff --git a/hoomd/hpmc/ComputeFreeVolume.h b/hoomd/hpmc/ComputeFreeVolume.h index aa77236007..2ada4dbb0a 100644 --- a/hoomd/hpmc/ComputeFreeVolume.h +++ b/hoomd/hpmc/ComputeFreeVolume.h @@ -38,7 +38,7 @@ template class ComputeFreeVolume : public Compute std::shared_ptr> mc, std::shared_ptr cl); //! Destructor - virtual ~ComputeFreeVolume() {}; + virtual ~ComputeFreeVolume() { }; //! Get the number of MC samples to perform unsigned int getNumSamples() diff --git a/hoomd/hpmc/ComputeFreeVolumeGPU.cuh b/hoomd/hpmc/ComputeFreeVolumeGPU.cuh index 26223858d2..d20c0ddeef 100644 --- a/hoomd/hpmc/ComputeFreeVolumeGPU.cuh +++ b/hoomd/hpmc/ComputeFreeVolumeGPU.cuh @@ -69,7 +69,7 @@ struct hpmc_free_volume_args_t select(_select), timestep(_timestep), dim(_dim), box(_box), block_size(_block_size), stride(_stride), group_size(_group_size), max_n(_max_n), d_n_overlap_all(_d_n_overlap_all), ghost_width(_ghost_width), - d_check_overlaps(_d_check_overlaps), overlap_idx(_overlap_idx), devprop(_devprop) {}; + d_check_overlaps(_d_check_overlaps), overlap_idx(_overlap_idx), devprop(_devprop) { }; unsigned int n_sample; //!< Number of depletants particles to generate unsigned int type; //!< Type of depletant particle diff --git a/hoomd/hpmc/ComputeSDF.h b/hoomd/hpmc/ComputeSDF.h index 5cf2c02fe9..2d69dee952 100644 --- a/hoomd/hpmc/ComputeSDF.h +++ b/hoomd/hpmc/ComputeSDF.h @@ -115,7 +115,7 @@ template class ComputeSDF : public Compute double dx); //! Destructor - virtual ~ComputeSDF() {}; + virtual ~ComputeSDF() { }; //! Get the maximum value in the rightmost histogram bin double getXMax() diff --git a/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsAuxilliaryTypes.cuh b/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsAuxilliaryTypes.cuh index 9999b7b23b..73a232c8b4 100644 --- a/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsAuxilliaryTypes.cuh +++ b/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsAuxilliaryTypes.cuh @@ -39,7 +39,7 @@ struct hpmc_auxilliary_args_t d_n_depletants_ntrial(_d_n_depletants_ntrial), d_deltaF_int(_d_deltaF_int), streams_phase1(_streams_phase1), streams_phase2(_streams_phase2), max_len(_max_len), d_req_len(_d_req_len), add_ghosts(_add_ghosts), n_ghosts(_n_ghosts), - gpu_partition_rank(_gpu_partition_rank) {}; + gpu_partition_rank(_gpu_partition_rank) { }; const unsigned int* d_tag; //!< Particle tags const Scalar4* d_vel; //!< Particle velocities (.x component is the auxilliary variable) diff --git a/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsTypes.cuh b/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsTypes.cuh index ab580e0dd9..ab370df401 100644 --- a/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsTypes.cuh +++ b/hoomd/hpmc/IntegratorHPMCMonoGPUDepletantsTypes.cuh @@ -37,7 +37,7 @@ struct hpmc_implicit_args_t : depletant_type_a(_depletant_type_a), d_implicit_count(_d_implicit_count), implicit_counters_pitch(_implicit_counters_pitch), repulsive(_repulsive), d_n_depletants(_d_n_depletants), max_n_depletants(_max_n_depletants), - depletants_per_thread(_depletants_per_thread), streams(_streams) {}; + depletants_per_thread(_depletants_per_thread), streams(_streams) { }; const unsigned int depletant_type_a; //!< Particle type of first depletant hpmc_implicit_counters_t* d_implicit_count; //!< Active cell acceptance/rejection counts diff --git a/hoomd/hpmc/IntegratorHPMCMonoGPUTypes.cuh b/hoomd/hpmc/IntegratorHPMCMonoGPUTypes.cuh index 81a7f06b4a..fd1beec654 100644 --- a/hoomd/hpmc/IntegratorHPMCMonoGPUTypes.cuh +++ b/hoomd/hpmc/IntegratorHPMCMonoGPUTypes.cuh @@ -76,7 +76,7 @@ struct hpmc_args_t d_trial_move_type(_d_trial_move_type), d_update_order_by_ptl(_d_update_order_by_ptl), d_excell_idx(_d_excell_idx), d_excell_size(_d_excell_size), excli(_excli), d_reject_in(_d_reject_in), d_reject_out(_d_reject_out), devprop(_devprop), - gpu_partition(_gpu_partition), streams(_streams) {}; + gpu_partition(_gpu_partition), streams(_streams) { }; const Scalar4* d_postype; //!< postype array const Scalar4* d_orientation; //!< orientation array diff --git a/hoomd/hpmc/ShapeMoves.h b/hoomd/hpmc/ShapeMoves.h index 450dd1daaf..c3781ff7ca 100644 --- a/hoomd/hpmc/ShapeMoves.h +++ b/hoomd/hpmc/ShapeMoves.h @@ -31,7 +31,7 @@ template class ShapeMoveBase m_step_size.resize(m_ntypes, 0); } - virtual ~ShapeMoveBase() {}; + virtual ~ShapeMoveBase() { }; //! prepare is called at the beginning of every update() virtual void prepare(uint64_t timestep) { } diff --git a/hoomd/hpmc/ShapePolyhedron.h b/hoomd/hpmc/ShapePolyhedron.h index 3b9b79d837..cce6db90f1 100644 --- a/hoomd/hpmc/ShapePolyhedron.h +++ b/hoomd/hpmc/ShapePolyhedron.h @@ -54,7 +54,7 @@ namespace detail */ struct TriangleMesh : ShapeParams { - TriangleMesh() : face_verts(), face_overlap(), n_faces(0), ignore(0) {}; + TriangleMesh() : face_verts(), face_overlap(), n_faces(0), ignore(0) { }; #ifndef __HIPCC__ /** Initialize with a given number of vertices and vaces diff --git a/hoomd/hpmc/ShapeUtils.h b/hoomd/hpmc/ShapeUtils.h index 869e0a0063..da6431a7f8 100644 --- a/hoomd/hpmc/ShapeUtils.h +++ b/hoomd/hpmc/ShapeUtils.h @@ -37,7 +37,7 @@ class MassPropertiesBase m_inertia.resize(6, 0.0); } - virtual ~MassPropertiesBase() {}; + virtual ~MassPropertiesBase() { }; Scalar getVolume() { @@ -86,7 +86,7 @@ template class MassProperties : public MassPropertiesBase template<> class MassProperties : public MassPropertiesBase { public: - MassProperties() : MassPropertiesBase() {}; + MassProperties() : MassPropertiesBase() { }; MassProperties(const typename ShapeConvexPolyhedron::param_type& param) : MassPropertiesBase() { @@ -244,7 +244,7 @@ template<> class MassProperties : public MassPropertiesBa template<> class MassProperties : public MassPropertiesBase { public: - MassProperties() : MassPropertiesBase() {}; + MassProperties() : MassPropertiesBase() { }; MassProperties(const typename ShapeEllipsoid::param_type& param) : MassPropertiesBase(), m_param(param) diff --git a/hoomd/hpmc/UpdaterClustersGPU.cuh b/hoomd/hpmc/UpdaterClustersGPU.cuh index 63c2b6ea9e..57ce5d0bd8 100644 --- a/hoomd/hpmc/UpdaterClustersGPU.cuh +++ b/hoomd/hpmc/UpdaterClustersGPU.cuh @@ -81,7 +81,7 @@ struct cluster_args_t d_excell_idx(_d_excell_idx), d_excell_size(_d_excell_size), excli(_excli), d_adjacency(_d_adjacency), d_nneigh(_d_nneigh), maxn(_maxn), d_overflow(_d_overflow), dim(_dim), line(_line), pivot(_pivot), q(_q), update_shape_param(_update_shape_param), - devprop(_devprop), gpu_partition(_gpu_partition), streams(_streams) {}; + devprop(_devprop), gpu_partition(_gpu_partition), streams(_streams) { }; const Scalar4* d_postype; //!< postype array const Scalar4* d_orientation; //!< orientation array diff --git a/hoomd/md/AlchemostatTwoStep.h b/hoomd/md/AlchemostatTwoStep.h index b276a49996..82b318fe7d 100644 --- a/hoomd/md/AlchemostatTwoStep.h +++ b/hoomd/md/AlchemostatTwoStep.h @@ -24,7 +24,7 @@ class AlchemostatTwoStep : public IntegrationMethodTwoStep : IntegrationMethodTwoStep( sysdef, std::make_shared(sysdef, std::make_shared())), - m_nTimeFactor(alchemTimeFactor), m_halfDeltaT(0.5 * m_deltaT * alchemTimeFactor) {}; + m_nTimeFactor(alchemTimeFactor), m_halfDeltaT(0.5 * m_deltaT * alchemTimeFactor) { }; virtual ~AlchemostatTwoStep() { } diff --git a/hoomd/md/AlchemyData.h b/hoomd/md/AlchemyData.h index 5ad91866ee..62cebd20e0 100644 --- a/hoomd/md/AlchemyData.h +++ b/hoomd/md/AlchemyData.h @@ -31,7 +31,7 @@ namespace md struct AlchemicalParticle { AlchemicalParticle(std::shared_ptr exec_conf) - : value(Scalar(1.0)), m_attached(true), m_exec_conf(exec_conf) {}; + : value(Scalar(1.0)), m_attached(true), m_exec_conf(exec_conf) { }; void notifyDetach() { @@ -52,7 +52,7 @@ struct AlchemicalMDParticle : AlchemicalParticle { AlchemicalMDParticle(std::shared_ptr exec_conf) - : AlchemicalParticle(exec_conf) {}; + : AlchemicalParticle(exec_conf) { }; void inline zeroForces() { @@ -136,7 +136,7 @@ struct AlchemicalPairParticle : AlchemicalMDParticle { AlchemicalPairParticle(std::shared_ptr exec_conf, int3 type_pair_param) - : AlchemicalMDParticle(exec_conf), m_type_pair_param(type_pair_param) {}; + : AlchemicalMDParticle(exec_conf), m_type_pair_param(type_pair_param) { }; int3 m_type_pair_param; }; diff --git a/hoomd/md/AnisoPotentialPairGPU.cuh b/hoomd/md/AnisoPotentialPairGPU.cuh index a014126ea3..a6e7b5a330 100644 --- a/hoomd/md/AnisoPotentialPairGPU.cuh +++ b/hoomd/md/AnisoPotentialPairGPU.cuh @@ -70,7 +70,7 @@ struct a_pair_args_t d_head_list(_d_head_list), d_rcutsq(_d_rcutsq), ntypes(_ntypes), block_size(_block_size), shift_mode(_shift_mode), compute_virial(_compute_virial), threads_per_particle(_threads_per_particle), gpu_partition(_gpu_partition), - devprop(_devprop), update_shape_param(_update_shape_param) {}; + devprop(_devprop), update_shape_param(_update_shape_param) { }; Scalar4* d_force; //!< Force to write out Scalar4* d_torque; //!< Torque to write out diff --git a/hoomd/md/AnisoPotentialPairGPU.h b/hoomd/md/AnisoPotentialPairGPU.h index c5f7cc51cd..a64fda7dcb 100644 --- a/hoomd/md/AnisoPotentialPairGPU.h +++ b/hoomd/md/AnisoPotentialPairGPU.h @@ -41,7 +41,7 @@ template class AnisoPotentialPairGPU : public AnisoPotentialPai AnisoPotentialPairGPU(std::shared_ptr sysdef, std::shared_ptr nlist); //! Destructor - virtual ~AnisoPotentialPairGPU() {}; + virtual ~AnisoPotentialPairGPU() { }; virtual void setParams(unsigned int typ1, unsigned int typ2, const typename evaluator::param_type& param); diff --git a/hoomd/md/EvaluatorWalls.cc b/hoomd/md/EvaluatorWalls.cc index 261e34e965..16cd9b7c09 100644 --- a/hoomd/md/EvaluatorWalls.cc +++ b/hoomd/md/EvaluatorWalls.cc @@ -31,14 +31,13 @@ void export_wall_field(pybind11::module& m) .def("get_sphere_list", [](wall_type& wall_list) { - return make_ArrayView(&wall_list.Spheres[0], - MAX_N_SWALLS, - wall_list.numSpheres, - std::function*)>( - [&wall_list](const ArrayView* view) -> void { - wall_list.numSpheres - = static_cast(view->size); - })); + return make_ArrayView( + &wall_list.Spheres[0], + MAX_N_SWALLS, + wall_list.numSpheres, + std::function*)>( + [&wall_list](const ArrayView* view) -> void + { wall_list.numSpheres = static_cast(view->size); })); }) .def("get_cylinder_list", [](wall_type& wall_list) @@ -54,14 +53,13 @@ void export_wall_field(pybind11::module& m) .def("get_plane_list", [](wall_type& wall_list) { - return make_ArrayView(&wall_list.Planes[0], - MAX_N_PWALLS, - wall_list.numPlanes, - std::function*)>( - [&wall_list](const ArrayView* view) -> void { - wall_list.numPlanes - = static_cast(view->size); - })); + return make_ArrayView( + &wall_list.Planes[0], + MAX_N_PWALLS, + wall_list.numPlanes, + std::function*)>( + [&wall_list](const ArrayView* view) -> void + { wall_list.numPlanes = static_cast(view->size); })); }) // These functions are not necessary for the Python interface but allow for more ready // testing of the ArrayView class and this exporting. diff --git a/hoomd/md/PotentialBondGPU.cuh b/hoomd/md/PotentialBondGPU.cuh index 3d83343024..bad97f194b 100644 --- a/hoomd/md/PotentialBondGPU.cuh +++ b/hoomd/md/PotentialBondGPU.cuh @@ -47,7 +47,7 @@ template struct bond_args_t d_pos(_d_pos), d_charge(_d_charge), box(_box), d_gpu_bondlist(_d_gpu_bondlist), gpu_table_indexer(_gpu_table_indexer), d_gpu_bond_pos(_d_gpu_bond_pos), d_gpu_n_bonds(_d_gpu_n_bonds), n_bond_types(_n_bond_types), block_size(_block_size), - devprop(_devprop) {}; + devprop(_devprop) { }; Scalar4* d_force; //!< Force to write out Scalar* d_virial; //!< Virial to write out diff --git a/hoomd/md/PotentialExternalGPU.cuh b/hoomd/md/PotentialExternalGPU.cuh index 25551f4896..fe4722cddf 100644 --- a/hoomd/md/PotentialExternalGPU.cuh +++ b/hoomd/md/PotentialExternalGPU.cuh @@ -40,7 +40,7 @@ struct external_potential_args_t const hipDeviceProp_t& _devprop) : d_force(_d_force), d_torque(_d_torque), d_virial(_d_virial), virial_pitch(_virial_pitch), box(_box), N(_N), d_pos(_d_pos), d_orientation(_d_orientation), d_charge(_d_charge), - block_size(_block_size), devprop(_devprop) {}; + block_size(_block_size), devprop(_devprop) { }; Scalar4* d_force; //!< Force to write out Scalar4* d_torque; //!< Torque to write out diff --git a/hoomd/md/PotentialPairAlchemical.h b/hoomd/md/PotentialPairAlchemical.h index f4008181bb..2fe7225e44 100644 --- a/hoomd/md/PotentialPairAlchemical.h +++ b/hoomd/md/PotentialPairAlchemical.h @@ -32,8 +32,8 @@ template struct AlchemyPackage std::vector> force_handles = {}; std::vector> compute_mask = {}; - AlchemyPackage(std::nullptr_t) {}; - AlchemyPackage() {}; + AlchemyPackage(std::nullptr_t) { }; + AlchemyPackage() { }; }; //! Template class for computing alchemical pair potentials diff --git a/hoomd/md/PotentialPairAlchemicalNormalized.h b/hoomd/md/PotentialPairAlchemicalNormalized.h index 1fc4e04a65..071e0a86f1 100644 --- a/hoomd/md/PotentialPairAlchemicalNormalized.h +++ b/hoomd/md/PotentialPairAlchemicalNormalized.h @@ -26,8 +26,8 @@ template struct AlchemyPackageNormalized : AlchemyPackage normalization_values = {}; - AlchemyPackageNormalized(std::nullptr_t) {}; - AlchemyPackageNormalized() {}; + AlchemyPackageNormalized(std::nullptr_t) { }; + AlchemyPackageNormalized() { }; }; template struct Normalized : public evaluator @@ -73,10 +73,10 @@ class PotentialPairAlchemicalNormalized //! Construct the pair potential PotentialPairAlchemicalNormalized(std::shared_ptr sysdef, std::shared_ptr nlist) - : PotentialPairAlchemical(sysdef, nlist) {}; + : PotentialPairAlchemical(sysdef, nlist) { }; //! Destructor - ~PotentialPairAlchemicalNormalized() {}; + ~PotentialPairAlchemicalNormalized() { }; void setNormalizer(pybind11::function& callback) { diff --git a/hoomd/md/PotentialPairDPDThermo.h b/hoomd/md/PotentialPairDPDThermo.h index 61cc185e9f..5b097ded4d 100644 --- a/hoomd/md/PotentialPairDPDThermo.h +++ b/hoomd/md/PotentialPairDPDThermo.h @@ -51,7 +51,7 @@ template class PotentialPairDPDThermo : public PotentialPair sysdef, std::shared_ptr nlist); //! Destructor - virtual ~PotentialPairDPDThermo() {}; + virtual ~PotentialPairDPDThermo() { }; //! Set the temperature virtual void setT(std::shared_ptr T); diff --git a/hoomd/md/PotentialPairDPDThermoGPU.cuh b/hoomd/md/PotentialPairDPDThermoGPU.cuh index 12df554a32..ce56d52601 100644 --- a/hoomd/md/PotentialPairDPDThermoGPU.cuh +++ b/hoomd/md/PotentialPairDPDThermoGPU.cuh @@ -67,7 +67,7 @@ struct dpd_pair_args_t size_nlist(_size_nlist), ntypes(_ntypes), block_size(_block_size), seed(_seed), timestep(_timestep), deltaT(_deltaT), T(_T), shift_mode(_shift_mode), compute_virial(_compute_virial), threads_per_particle(_threads_per_particle), - devprop(_devprop) {}; + devprop(_devprop) { }; Scalar4* d_force; //!< Force to write out Scalar* d_virial; //!< Virial to write out diff --git a/hoomd/md/PotentialPairDPDThermoGPU.h b/hoomd/md/PotentialPairDPDThermoGPU.h index 27eb42aaee..2ea331c8b9 100644 --- a/hoomd/md/PotentialPairDPDThermoGPU.h +++ b/hoomd/md/PotentialPairDPDThermoGPU.h @@ -47,7 +47,7 @@ template class PotentialPairDPDThermoGPU : public PotentialPair PotentialPairDPDThermoGPU(std::shared_ptr sysdef, std::shared_ptr nlist); //! Destructor - virtual ~PotentialPairDPDThermoGPU() {}; + virtual ~PotentialPairDPDThermoGPU() { }; protected: std::shared_ptr> m_tuner; //!< Autotuner for block size and threads per particle diff --git a/hoomd/md/PotentialPairGPU.cuh b/hoomd/md/PotentialPairGPU.cuh index 7d1fade106..ca04eb624b 100644 --- a/hoomd/md/PotentialPairGPU.cuh +++ b/hoomd/md/PotentialPairGPU.cuh @@ -71,7 +71,7 @@ struct pair_args_t size_neigh_list(_size_neigh_list), ntypes(_ntypes), block_size(_block_size), shift_mode(_shift_mode), compute_virial(_compute_virial), threads_per_particle(_threads_per_particle), gpu_partition(_gpu_partition), - devprop(_devprop) {}; + devprop(_devprop) { }; Scalar4* d_force; //!< Force to write out Scalar* d_virial; //!< Virial to write out diff --git a/hoomd/md/PotentialTersoffGPU.cuh b/hoomd/md/PotentialTersoffGPU.cuh index 3b4b2e3280..6d5ecfeb58 100644 --- a/hoomd/md/PotentialTersoffGPU.cuh +++ b/hoomd/md/PotentialTersoffGPU.cuh @@ -60,7 +60,7 @@ struct tersoff_args_t virial_pitch(_virial_pitch), compute_virial(_compute_virial), d_pos(_d_pos), box(_box), d_n_neigh(_d_n_neigh), d_nlist(_d_nlist), d_head_list(_d_head_list), d_rcutsq(_d_rcutsq), size_nlist(_size_nlist), ntypes(_ntypes), block_size(_block_size), tpp(_tpp), - devprop(_devprop) {}; + devprop(_devprop) { }; Scalar4* d_force; //!< Force to write out const unsigned int N; //!< Number of particles diff --git a/hoomd/md/TwoStepBDGPU.h b/hoomd/md/TwoStepBDGPU.h index b2a19e8f59..c11710913c 100644 --- a/hoomd/md/TwoStepBDGPU.h +++ b/hoomd/md/TwoStepBDGPU.h @@ -30,7 +30,7 @@ class PYBIND11_EXPORT TwoStepBDGPU : public TwoStepBD bool noiseless_t, bool noiseless_r); - virtual ~TwoStepBDGPU() {}; + virtual ~TwoStepBDGPU() { }; //! Performs the first step of the integration virtual void integrateStepOne(uint64_t timestep); diff --git a/hoomd/md/TwoStepLangevinGPU.h b/hoomd/md/TwoStepLangevinGPU.h index f7c3685d28..997fb56ba0 100644 --- a/hoomd/md/TwoStepLangevinGPU.h +++ b/hoomd/md/TwoStepLangevinGPU.h @@ -28,7 +28,7 @@ class PYBIND11_EXPORT TwoStepLangevinGPU : public TwoStepLangevin TwoStepLangevinGPU(std::shared_ptr sysdef, std::shared_ptr group, std::shared_ptr T); - virtual ~TwoStepLangevinGPU() {}; + virtual ~TwoStepLangevinGPU() { }; //! Performs the first step of the integration virtual void integrateStepOne(uint64_t timestep); diff --git a/hoomd/md/TwoStepRATTLEBDGPU.h b/hoomd/md/TwoStepRATTLEBDGPU.h index 47f2bc7dec..a3a3685447 100644 --- a/hoomd/md/TwoStepRATTLEBDGPU.h +++ b/hoomd/md/TwoStepRATTLEBDGPU.h @@ -39,13 +39,13 @@ template class PYBIND11_EXPORT TwoStepRATTLEBDGPU : public TwoSt bool noiseless_r, Scalar tolerance); - virtual ~TwoStepRATTLEBDGPU() {}; + virtual ~TwoStepRATTLEBDGPU() { }; //! Performs the first step of the integration virtual void integrateStepOne(uint64_t timestep); //! Performs the second step of the integration - virtual void integrateStepTwo(uint64_t timestep) {}; + virtual void integrateStepTwo(uint64_t timestep) { }; //! Includes the RATTLE forces to the virial/net force virtual void includeRATTLEForce(uint64_t timestep); diff --git a/hoomd/md/TwoStepRATTLELangevinGPU.h b/hoomd/md/TwoStepRATTLELangevinGPU.h index 11132c7a86..a772976be5 100644 --- a/hoomd/md/TwoStepRATTLELangevinGPU.h +++ b/hoomd/md/TwoStepRATTLELangevinGPU.h @@ -40,7 +40,7 @@ class PYBIND11_EXPORT TwoStepRATTLELangevinGPU : public TwoStepRATTLELangevin T, Scalar tolerance); - virtual ~TwoStepRATTLELangevinGPU() {}; + virtual ~TwoStepRATTLELangevinGPU() { }; //! Performs the first step of the integration virtual void integrateStepOne(uint64_t timestep); diff --git a/hoomd/md/TwoStepRATTLENVEGPU.h b/hoomd/md/TwoStepRATTLENVEGPU.h index a4feb75ac3..ad9b300baf 100644 --- a/hoomd/md/TwoStepRATTLENVEGPU.h +++ b/hoomd/md/TwoStepRATTLENVEGPU.h @@ -44,7 +44,7 @@ class PYBIND11_EXPORT TwoStepRATTLENVEGPU : public TwoStepRATTLENVE Manifold manifold, Scalar tolerance); - virtual ~TwoStepRATTLENVEGPU() {}; + virtual ~TwoStepRATTLENVEGPU() { }; //! Performs the first step of the integration virtual void integrateStepOne(uint64_t timestep); diff --git a/hoomd/md/test/test_fire_energy_minimizer.cc b/hoomd/md/test/test_fire_energy_minimizer.cc index d7bc272249..5d66aa9b4b 100644 --- a/hoomd/md/test/test_fire_energy_minimizer.cc +++ b/hoomd/md/test/test_fire_energy_minimizer.cc @@ -100,9 +100,9 @@ void randpts(vector& x, while (i < N) { - Scalar xi = rand() / (Scalar(RAND_MAX)) * box - 0.5 * box; - Scalar yi = rand() / (Scalar(RAND_MAX)) * box - 0.5 * box; - Scalar zi = rand() / (Scalar(RAND_MAX)) * box - 0.5 * box; + Scalar xi = rand() / (Scalar(RAND_MAX))*box - 0.5 * box; + Scalar yi = rand() / (Scalar(RAND_MAX))*box - 0.5 * box; + Scalar zi = rand() / (Scalar(RAND_MAX))*box - 0.5 * box; int overlap = 0; for (unsigned int j = 0; j < i; j++) diff --git a/hoomd/mpcd/ParticleDataSnapshot.h b/hoomd/mpcd/ParticleDataSnapshot.h index 9180cfeabf..bbed6e84e2 100644 --- a/hoomd/mpcd/ParticleDataSnapshot.h +++ b/hoomd/mpcd/ParticleDataSnapshot.h @@ -58,7 +58,7 @@ class PYBIND11_EXPORT ParticleDataSnapshot ParticleDataSnapshot(unsigned int N); //! Destructor - ~ParticleDataSnapshot() {}; + ~ParticleDataSnapshot() { }; //! Resize the snapshot void resize(unsigned int N);