diff --git a/lib/atc/ATC_Coupling.cpp b/lib/atc/ATC_Coupling.cpp index 381e9fee90..188c1b04f2 100644 --- a/lib/atc/ATC_Coupling.cpp +++ b/lib/atc/ATC_Coupling.cpp @@ -775,7 +775,7 @@ namespace ATC { //-------------------------------------------------- /** allow FE_Engine to construct data manager after mesh is constructed */ - void ATC_Coupling::construct_prescribed_data_manager (void) { + void ATC_Coupling::construct_prescribed_data_manager () { prescribedDataMgr_ = new PrescribedDataManager(feEngine_,fieldSizes_); } @@ -1704,7 +1704,7 @@ namespace ATC { //-------------------------------------------------------------- /** method to trigger construction of mesh data after mesh construction */ //-------------------------------------------------------------- - void ATC_Coupling::initialize_mesh_data(void) + void ATC_Coupling::initialize_mesh_data() { int nelts = feEngine_->fe_mesh()->num_elements(); elementToMaterialMap_.reset(nelts); @@ -1715,7 +1715,7 @@ namespace ATC { } //-------------------------------------------------------- - void ATC_Coupling::reset_flux_mask(void) + void ATC_Coupling::reset_flux_mask() { int i; // this is exact only for uniform meshes and certain types of atomic weights diff --git a/lib/atc/ATC_CouplingMomentum.cpp b/lib/atc/ATC_CouplingMomentum.cpp index 9b16efc159..86de830b55 100644 --- a/lib/atc/ATC_CouplingMomentum.cpp +++ b/lib/atc/ATC_CouplingMomentum.cpp @@ -357,7 +357,7 @@ namespace ATC { // compute_scalar : added energy // this is used in the line search //-------------------------------------------------------------------- - double ATC_CouplingMomentum::compute_scalar(void) + double ATC_CouplingMomentum::compute_scalar() { double energy = extrinsicModelManager_.compute_scalar(); return energy; diff --git a/lib/atc/ATC_CouplingMomentumEnergy.cpp b/lib/atc/ATC_CouplingMomentumEnergy.cpp index 08206ba6db..c3b36fb30a 100644 --- a/lib/atc/ATC_CouplingMomentumEnergy.cpp +++ b/lib/atc/ATC_CouplingMomentumEnergy.cpp @@ -327,7 +327,7 @@ namespace ATC { //-------------------------------------------------------------------- // compute_scalar : added energy //-------------------------------------------------------------------- - double ATC_CouplingMomentumEnergy::compute_scalar(void) + double ATC_CouplingMomentumEnergy::compute_scalar() { double energy = 0.0; energy += extrinsicModelManager_.compute_scalar(); @@ -337,7 +337,7 @@ namespace ATC { //-------------------------------------------------------------------- // total kinetic energy //-------------------------------------------------------------------- - double ATC_CouplingMomentumEnergy::kinetic_energy(void) + double ATC_CouplingMomentumEnergy::kinetic_energy() { const MATRIX & M = massMats_[VELOCITY].quantity(); @@ -355,7 +355,7 @@ namespace ATC { //-------------------------------------------------------------------- // total potential energy //-------------------------------------------------------------------- - double ATC_CouplingMomentumEnergy::potential_energy(void) + double ATC_CouplingMomentumEnergy::potential_energy() { Array mask(1); mask(0) = VELOCITY; diff --git a/lib/atc/ATC_Method.cpp b/lib/atc/ATC_Method.cpp index 6fc8d51aa7..1236c93b2d 100644 --- a/lib/atc/ATC_Method.cpp +++ b/lib/atc/ATC_Method.cpp @@ -1674,7 +1674,7 @@ pecified } //------------------------------------------------------------------- - void ATC_Method::set_reference_potential_energy(void) + void ATC_Method::set_reference_potential_energy() { if (setRefPE_) { if (setRefPEvalue_) { @@ -2170,7 +2170,7 @@ pecified // } } //-------------------------------------------------------- - void ATC_Method::compute_nodeset_output(void) + void ATC_Method::compute_nodeset_output() { map< pair , NodesetOperationType >::const_iterator iter; for (iter = nsetData_.begin(); iter != nsetData_.end();iter++){ @@ -2194,7 +2194,7 @@ pecified } } //-------------------------------------------------------- - void ATC_Method::compute_faceset_output(void) + void ATC_Method::compute_faceset_output() { map < pair, FacesetIntegralType >::const_iterator iter; DENS_MAT values; @@ -2223,7 +2223,7 @@ pecified } } //-------------------------------------------------------- - void ATC_Method::compute_elementset_output(void) + void ATC_Method::compute_elementset_output() { map< pair , ElementsetOperationType >::const_iterator iter; for (iter = esetData_.begin(); iter != esetData_.end();iter++){ @@ -2379,7 +2379,7 @@ pecified } //-------------------------------------------------------- - void ATC_Method::remap_ghost_ref_positions(void) + void ATC_Method::remap_ghost_ref_positions() { int nlocal = lammpsInterface_->nlocal(); diff --git a/lib/atc/ATC_Transfer.cpp b/lib/atc/ATC_Transfer.cpp index 5ea7f1233a..edaa060ab3 100644 --- a/lib/atc/ATC_Transfer.cpp +++ b/lib/atc/ATC_Transfer.cpp @@ -916,12 +916,12 @@ namespace ATC { } //------------------------------------------------------------------- - void ATC_Transfer::compute_bond_matrix(void) + void ATC_Transfer::compute_bond_matrix() { bondMatrix_->reset(); } //------------------------------------------------------------------- - void ATC_Transfer::compute_fields(void) + void ATC_Transfer::compute_fields() { // keep per-atom computes fresh. JAZ and REJ not sure why; diff --git a/lib/atc/ATC_TransferKernel.cpp b/lib/atc/ATC_TransferKernel.cpp index e09139f92c..61dd8fbade 100644 --- a/lib/atc/ATC_TransferKernel.cpp +++ b/lib/atc/ATC_TransferKernel.cpp @@ -83,7 +83,7 @@ using ATC_Utility::to_string; } //------------------------------------------------------------------- - void ATC_TransferKernel::compute_kernel_matrix_molecule(void) // KKM add + void ATC_TransferKernel::compute_kernel_matrix_molecule() // KKM add { int nLocalMol = smallMoleculeSet_->local_molecule_count(); if (nLocal_>0) { diff --git a/lib/atc/AtomicRegulator.cpp b/lib/atc/AtomicRegulator.cpp index 1d2b5d1d85..8f67bdbe34 100644 --- a/lib/atc/AtomicRegulator.cpp +++ b/lib/atc/AtomicRegulator.cpp @@ -688,7 +688,7 @@ namespace ATC { // compute_sparsity // - creates sparsity template //-------------------------------------------------------- - void RegulatorShapeFunction::compute_sparsity(void) + void RegulatorShapeFunction::compute_sparsity() { // first get local pattern from N N^T diff --git a/lib/atc/ChargeRegulator.cpp b/lib/atc/ChargeRegulator.cpp index f0f0423e9a..101ec3f7e7 100644 --- a/lib/atc/ChargeRegulator.cpp +++ b/lib/atc/ChargeRegulator.cpp @@ -198,7 +198,7 @@ namespace ATC { // nomenclature might be a bit backwark: control --> nodes that exert the control, & influence --> atoms that feel the influence - void ChargeRegulatorMethod::initialize(void) + void ChargeRegulatorMethod::initialize() { interscaleManager_ = &(atc_->interscale_manager()); @@ -220,7 +220,7 @@ namespace ATC { int ChargeRegulatorMethod::nlocal() { return atc_->nlocal(); } - void ChargeRegulatorMethod::set_greens_functions(void) + void ChargeRegulatorMethod::set_greens_functions() { // set up Green's function per node for (int i = 0; i < nNodes_; i++) { @@ -272,7 +272,7 @@ namespace ATC { //-------------------------------------------------------- // Initialize //-------------------------------------------------------- - void ChargeRegulatorMethodFeedback::initialize(void) + void ChargeRegulatorMethodFeedback::initialize() { ChargeRegulatorMethod::initialize(); if (surfaceType_ != ChargeRegulator::CONDUCTOR) @@ -284,7 +284,7 @@ namespace ATC { //-------------------------------------------------------- // Initialize //-------------------------------------------------------- - void ChargeRegulatorMethodFeedback::construct_transfers(void) + void ChargeRegulatorMethodFeedback::construct_transfers() { ChargeRegulatorMethod::construct_transfers(); @@ -301,7 +301,7 @@ namespace ATC { //-------------------------------------------------------- // find measurement atoms and nodes //-------------------------------------------------------- - void ChargeRegulatorMethodFeedback::set_influence(void) + void ChargeRegulatorMethodFeedback::set_influence() { // get nodes that overlap influence atoms & compact list of influence atoms @@ -321,7 +321,7 @@ namespace ATC { //-------------------------------------------------------- // constuct a Green's submatrix //-------------------------------------------------------- - void ChargeRegulatorMethodFeedback::set_influence_matrix(void) + void ChargeRegulatorMethodFeedback::set_influence_matrix() { // construct control-influence matrix bar{G}^-1: ds{p} = G{p,m}^-1 dphi{m} @@ -434,7 +434,7 @@ namespace ATC { //-------------------------------------------------------- // Initialize //-------------------------------------------------------- - void ChargeRegulatorMethodImageCharge::initialize(void) + void ChargeRegulatorMethodImageCharge::initialize() { ChargeRegulatorMethod::initialize(); if (surfaceType_ != ChargeRegulator::DIELECTRIC) throw ATC_Error("currently image charge can only mimic a dielectric"); diff --git a/lib/atc/ConcentrationRegulator.cpp b/lib/atc/ConcentrationRegulator.cpp index b6aa6c5265..77796176bc 100644 --- a/lib/atc/ConcentrationRegulator.cpp +++ b/lib/atc/ConcentrationRegulator.cpp @@ -224,7 +224,7 @@ const double kMinScale_ = 10000.; //-------------------------------------------------------- // Initialize //-------------------------------------------------------- - void ConcentrationRegulatorMethodTransition::initialize(void) + void ConcentrationRegulatorMethodTransition::initialize() { #ifdef ATC_VERBOSE lammpsInterface_->print_msg_once( @@ -289,7 +289,7 @@ const double kMinScale_ = 10000.; //-------------------------------------------------------- // pre exchange //-------------------------------------------------------- - void ConcentrationRegulatorMethodTransition::pre_exchange(void) + void ConcentrationRegulatorMethodTransition::pre_exchange() { // return if should not be called on this timestep if ( ! lammpsInterface_->now(frequency_)) return; @@ -312,7 +312,7 @@ const double kMinScale_ = 10000.; //-------------------------------------------------------- // pre force //-------------------------------------------------------- - void ConcentrationRegulatorMethodTransition::pre_force(void) + void ConcentrationRegulatorMethodTransition::pre_force() { transition(); } @@ -353,7 +353,7 @@ const double kMinScale_ = 10000.; //-------------------------------------------------------- // excess //-------------------------------------------------------- - int ConcentrationRegulatorMethodTransition::excess(void) const + int ConcentrationRegulatorMethodTransition::excess() const { int nexcess = count()-targetCount_; nexcess = max(min(nexcess,maxExchanges_),-maxExchanges_); @@ -362,7 +362,7 @@ const double kMinScale_ = 10000.; //-------------------------------------------------------- // count //-------------------------------------------------------- - int ConcentrationRegulatorMethodTransition::count(void) const + int ConcentrationRegulatorMethodTransition::count() const { // integrate concentration over region const DENS_MAT & c = (atc_->field(SPECIES_CONCENTRATION)).quantity(); diff --git a/lib/atc/ExtrinsicModel.cpp b/lib/atc/ExtrinsicModel.cpp index 8dc8b71539..802f3edb90 100644 --- a/lib/atc/ExtrinsicModel.cpp +++ b/lib/atc/ExtrinsicModel.cpp @@ -181,7 +181,7 @@ namespace ATC { //-------------------------------------------------------- // compute_scalar //-------------------------------------------------------- - double ExtrinsicModelManager::compute_scalar(void) + double ExtrinsicModelManager::compute_scalar() { double value = 0.; vector::iterator imodel; @@ -360,7 +360,7 @@ namespace ATC { //-------------------------------------------------------- // initialize //-------------------------------------------------------- - void ExtrinsicModel::initialize(void) + void ExtrinsicModel::initialize() { physicsModel_->initialize(); } diff --git a/lib/atc/ExtrinsicModelElectrostatic.cpp b/lib/atc/ExtrinsicModelElectrostatic.cpp index 73a94b8192..c061b4184c 100644 --- a/lib/atc/ExtrinsicModelElectrostatic.cpp +++ b/lib/atc/ExtrinsicModelElectrostatic.cpp @@ -483,7 +483,7 @@ namespace ATC { //-------------------------------------------------------- // compute_scalar : added energy = - f.x //-------------------------------------------------------- - double ExtrinsicModelElectrostatic::compute_scalar(void) + double ExtrinsicModelElectrostatic::compute_scalar() { //((atc_->interscale_manager()).fundamental_atom_quantity(LammpsInterface::ATOM_POSITION))->force_reset(); const DENS_MAT & atomPosition = ((atc_->interscale_manager()).fundamental_atom_quantity(LammpsInterface::ATOM_POSITION))->quantity(); diff --git a/lib/atc/FE_Engine.cpp b/lib/atc/FE_Engine.cpp index fc07b5e638..382b1257e1 100644 --- a/lib/atc/FE_Engine.cpp +++ b/lib/atc/FE_Engine.cpp @@ -430,7 +430,7 @@ namespace ATC{ //----------------------------------------------------------------- // write geometry //----------------------------------------------------------------- - void FE_Engine::write_geometry(void) + void FE_Engine::write_geometry() { outputManager_.write_geometry(feMesh_->coordinates(), feMesh_->connectivity()); @@ -2373,7 +2373,7 @@ namespace ATC{ feMesh_->face_shape_function(face, _fN_, _fdN_, _nN_, _fweights_); feMesh_->element_coordinates(elem, xCoords); - MultAB(xCoords,_fN_,xAtIPs,0,1); //xAtIPs = xCoords*(N.transpose()); + MultAB(xCoords,_fN_,xAtIPs,false,true); //xAtIPs = xCoords*(N.transpose()); // interpolate prescribed flux at ips of this element diff --git a/lib/atc/FE_Mesh.cpp b/lib/atc/FE_Mesh.cpp index a516dbfee8..6845c975d9 100644 --- a/lib/atc/FE_Mesh.cpp +++ b/lib/atc/FE_Mesh.cpp @@ -404,7 +404,7 @@ namespace ATC { // ------------------------------------------------------------- // initialize // ------------------------------------------------------------- - void FE_Mesh::initialize(void) + void FE_Mesh::initialize() { bool aligned = is_aligned(); @@ -469,7 +469,7 @@ namespace ATC { // ------------------------------------------------------------- // test whether almost structured // ------------------------------------------------------------- - bool FE_Mesh::is_aligned(void) const + bool FE_Mesh::is_aligned() const { vector foundBestMatch(nSD_,false); vector tangents(nSD_); @@ -518,7 +518,7 @@ namespace ATC { // ------------------------------------------------------------- // element_type // ------------------------------------------------------------- - string FE_Mesh::element_type(void) const { + string FE_Mesh::element_type() const { int npe = feElement_->num_elt_nodes(); if (npe == 4) { return "TET4"; } else if (npe == 8) { return "HEX8"; } @@ -1915,7 +1915,7 @@ namespace ATC { return true; } - void FE_3DMesh::set_unique_connectivity(void) + void FE_3DMesh::set_unique_connectivity() { int numEltNodes = feElement_->num_elt_nodes(); connectivityUnique_.reset(numEltNodes, nElts_); diff --git a/lib/atc/LammpsInterface.cpp b/lib/atc/LammpsInterface.cpp index 02ace08416..8f7d20361c 100644 --- a/lib/atc/LammpsInterface.cpp +++ b/lib/atc/LammpsInterface.cpp @@ -483,7 +483,7 @@ void LammpsInterface::periodicity_correction(double * x) const } } -void LammpsInterface::set_reference_box(void) const +void LammpsInterface::set_reference_box() const { double * hi = lammps_->domain->boxhi; double * lo = lammps_->domain->boxlo; @@ -570,7 +570,7 @@ void LammpsInterface::closest_image(const double * const xi, const double * cons // ----------------------------------------------------------------- // update interface methods // ----------------------------------------------------------------- -LammpsInterface::UnitsType LammpsInterface::units_style(void) const +LammpsInterface::UnitsType LammpsInterface::units_style() const { if (strcmp(lammps_->update->unit_style,"lj") == 0) return LJ; else if (strcmp(lammps_->update->unit_style,"real") == 0) return REAL; @@ -655,7 +655,7 @@ void LammpsInterface::basis_vectors(double **basis) const } //* gets the (max) lattice constant -double LammpsInterface::max_lattice_constant(void) const +double LammpsInterface::max_lattice_constant() const { double a1[3], a2[3], a3[3]; unit_cell(a1,a2,a3); @@ -666,7 +666,7 @@ double LammpsInterface::max_lattice_constant(void) const } //* computes a cutoff distance halfway between 1st and 2nd nearest neighbors -double LammpsInterface::near_neighbor_cutoff(void) const +double LammpsInterface::near_neighbor_cutoff() const { double cutoff; double alat = LammpsInterface::max_lattice_constant(); @@ -716,7 +716,7 @@ void LammpsInterface::unit_cell(double *a1, double *a2, double *a3) const } //* gets number of atoms in a unit cell -int LammpsInterface::num_atoms_per_cell(void) const +int LammpsInterface::num_atoms_per_cell() const { int naCell = 0; LatticeType type = lattice_style(); @@ -733,7 +733,7 @@ int LammpsInterface::num_atoms_per_cell(void) const } //* gets tributary volume for an atom -double LammpsInterface::volume_per_atom(void) const +double LammpsInterface::volume_per_atom() const { double naCell = num_atoms_per_cell(); double volPerAtom = @@ -1468,7 +1468,7 @@ LAMMPS_NS::Compute * LammpsInterface::const_to_active(COMPUTE_POINTER computePoi // compute pe/atom interface methods // - the only compute "owned" by ATC // ----------------------------------------------------------------- -int LammpsInterface::create_compute_pe_peratom(void) const +int LammpsInterface::create_compute_pe_peratom() const { char **list = new char*[4]; string atomPeName = compute_pe_name(); @@ -1493,7 +1493,7 @@ int LammpsInterface::create_compute_pe_peratom(void) const return icompute; } -double * LammpsInterface::compute_pe_peratom(void) const +double * LammpsInterface::compute_pe_peratom() const { if (atomPE_) { atomPE_->compute_peratom(); diff --git a/lib/atc/LinearSolver.cpp b/lib/atc/LinearSolver.cpp index 06683981e7..48fd6c049e 100644 --- a/lib/atc/LinearSolver.cpp +++ b/lib/atc/LinearSolver.cpp @@ -84,7 +84,7 @@ LinearSolver::LinearSolver( // -------------------------------------------------------------------- // Setup // -------------------------------------------------------------------- -void LinearSolver::setup(void) +void LinearSolver::setup() { tol_ = kTol; nVariables_ = matrix_.nRows(); @@ -113,7 +113,7 @@ void LinearSolver::setup(void) // -------------------------------------------------------------------- // Initialize // -------------------------------------------------------------------- -void LinearSolver::allow_reinitialization(void) +void LinearSolver::allow_reinitialization() { if (constraintHandlerType_ == PENALIZE_CONSTRAINTS) { if (matrixModified_ ) throw ATC_Error("LinearSolver: can't allow reinitialization after matrix has been modified"); @@ -157,7 +157,7 @@ void LinearSolver::initialize(const BC_SET * bcs) // -------------------------------------------------------------------- // initialize_matrix // -------------------------------------------------------------------- -void LinearSolver::initialize_matrix(void) +void LinearSolver::initialize_matrix() { if ( initializedMatrix_ ) return; if (constraintHandlerType_ == PENALIZE_CONSTRAINTS) { @@ -172,7 +172,7 @@ void LinearSolver::initialize_matrix(void) // -------------------------------------------------------------------- // initialize_inverse // -------------------------------------------------------------------- -void LinearSolver::initialize_inverse(void) +void LinearSolver::initialize_inverse() { if ( initializedInverse_ ) return; if (solverType_ == ITERATIVE_SOLVE_SYMMETRIC @@ -196,7 +196,7 @@ void LinearSolver::initialize_inverse(void) // -------------------------------------------------------------------- // initialize_rhs // -------------------------------------------------------------------- -void LinearSolver::initialize_rhs(void) +void LinearSolver::initialize_rhs() { if (! rhs_ ) return; if (! bcs_ ) { @@ -215,7 +215,7 @@ void LinearSolver::initialize_rhs(void) // add matrix penalty // - change matrix for Dirichlet conditions: add penalty // -------------------------------------------------------------------- -void LinearSolver::add_matrix_penalty(void) +void LinearSolver::add_matrix_penalty() { penalty_ = kPenalty; // relative to matrix diagonal SPAR_MAT & A = matrixCopy_; @@ -233,7 +233,7 @@ void LinearSolver::add_matrix_penalty(void) // partition matrix // - partition matrix based on Dirichlet constraints // -------------------------------------------------------------------- -void LinearSolver::partition_matrix(void) +void LinearSolver::partition_matrix() { fixedSet_.clear(); BC_SET::const_iterator itr; diff --git a/lib/atc/OutputManager.cpp b/lib/atc/OutputManager.cpp index d66fb0e8dd..6a57bceac1 100644 --- a/lib/atc/OutputManager.cpp +++ b/lib/atc/OutputManager.cpp @@ -172,7 +172,7 @@ void OutputManager::read_restart_file(string fileName, RESTART_LIST *data) //----------------------------------------------------------------------------- //* //----------------------------------------------------------------------------- -void OutputManager::write_globals(void) +void OutputManager::write_globals() { if ( outputPrefix_ == "NULL") return; string file = outputPrefix_ + ".GLOBALS"; @@ -224,7 +224,7 @@ void OutputManager::write_geometry(const MATRIX *coordinates, //----------------------------------------------------------------------------- //* //----------------------------------------------------------------------------- -void OutputManager::write_geometry_ensight(void) +void OutputManager::write_geometry_ensight() { // geometry based on a reference configuration string geom_file_name = outputPrefix_ + ".geo"; @@ -327,7 +327,7 @@ void OutputManager::write_geometry_ensight(void) //----------------------------------------------------------------------------- //* //----------------------------------------------------------------------------- -void OutputManager::write_geometry_text(void) +void OutputManager::write_geometry_text() { if ( outputPrefix_ == "NULL") return; // geometry based on a reference configuration diff --git a/lib/atc/PerPairQuantity.cpp b/lib/atc/PerPairQuantity.cpp index 164c387643..d95c6e42bd 100644 --- a/lib/atc/PerPairQuantity.cpp +++ b/lib/atc/PerPairQuantity.cpp @@ -18,7 +18,7 @@ PairMap::PairMap(LammpsInterface * lammpsInterface, int groupbit ): nPairs_(0), nBonds_(0) { }; -PairMap::~PairMap(void) +PairMap::~PairMap() { }; //========================================================== @@ -27,7 +27,7 @@ PairMapNeighbor::PairMapNeighbor(LammpsInterface * lammpsInterface, int groupbit { }; -void PairMapNeighbor::reset(void) const +void PairMapNeighbor::reset() const { int inum = lammpsInterface_->neighbor_list_inum(); int *ilist = lammpsInterface_->neighbor_list_ilist(); @@ -90,7 +90,7 @@ PairVirialEulerian::PairVirialEulerian(LammpsInterface * lammpsInterface, }; -void PairVirialEulerian::reset(void) const +void PairVirialEulerian::reset() const { int nPairs = pairMap_.size(); quantity_.reset(nPairs,nCols_); @@ -129,7 +129,7 @@ PairVirialLagrangian::PairVirialLagrangian(LammpsInterface * lammpsInterface, }; -void PairVirialLagrangian::reset(void) const +void PairVirialLagrangian::reset() const { int nPairs = pairMap_.size(); quantity_.reset(nPairs,nCols_); @@ -181,7 +181,7 @@ PairPotentialHeatFluxEulerian::PairPotentialHeatFluxEulerian(LammpsInterface * l }; -void PairPotentialHeatFluxEulerian::reset(void) const +void PairPotentialHeatFluxEulerian::reset() const { int nPairs = pairMap_.size(); quantity_.reset(nPairs,nCols_); @@ -217,7 +217,7 @@ PairPotentialHeatFluxLagrangian::PairPotentialHeatFluxLagrangian(LammpsInterface }; -void PairPotentialHeatFluxLagrangian::reset(void) const +void PairPotentialHeatFluxLagrangian::reset() const { int nPairs = pairMap_.size(); quantity_.reset(nPairs,nCols_); @@ -275,7 +275,7 @@ BondMatrixKernel::BondMatrixKernel(LammpsInterface * lammpsInterface, if (kernelFunction_ == nullptr) throw ATC_Error("No AtC kernel function initialized"); }; -void BondMatrixKernel::reset(void) const +void BondMatrixKernel::reset() const { int nPairs = pairMap_.size(); // needs to come after quantity for reset int nNodes = feMesh_->num_nodes_unique(); @@ -328,7 +328,7 @@ BondMatrixPartitionOfUnity::BondMatrixPartitionOfUnity(LammpsInterface * lammpsI lineWg_[i] *= 0.5; } }; -void BondMatrixPartitionOfUnity::reset(void) const +void BondMatrixPartitionOfUnity::reset() const { int nNodes = feMesh_->num_nodes_unique(); int nPairs = pairMap_.size(); diff --git a/lib/atc/PhysicsModel.cpp b/lib/atc/PhysicsModel.cpp index 0cef920e88..0720d86be2 100644 --- a/lib/atc/PhysicsModel.cpp +++ b/lib/atc/PhysicsModel.cpp @@ -108,7 +108,7 @@ void PhysicsModel::parse_material_file(string fileName) fileId.close(); } -void PhysicsModel::initialize(void) +void PhysicsModel::initialize() { // initialize materials vector< Material* >::const_iterator iter; diff --git a/lib/atc/PoissonSolver.cpp b/lib/atc/PoissonSolver.cpp index 3d644e6c58..51b1604c91 100644 --- a/lib/atc/PoissonSolver.cpp +++ b/lib/atc/PoissonSolver.cpp @@ -111,7 +111,7 @@ PoissonSolver::~PoissonSolver() // -------------------------------------------------------------------- // Initialize // -------------------------------------------------------------------- -void PoissonSolver::initialize(void) +void PoissonSolver::initialize() { nNodes_ = feEngine_->num_nodes(); diff --git a/lib/atc/PrescribedDataManager.cpp b/lib/atc/PrescribedDataManager.cpp index 72f6c75e79..aed3ecd281 100644 --- a/lib/atc/PrescribedDataManager.cpp +++ b/lib/atc/PrescribedDataManager.cpp @@ -523,7 +523,7 @@ namespace ATC { // print //------------------------------------------------------------------------- - void PrescribedDataManager::print(void) + void PrescribedDataManager::print() { // print and check consistency enum dataType {FREE=0,FIELD,SOURCE}; diff --git a/lib/atc/SchrodingerSolver.cpp b/lib/atc/SchrodingerSolver.cpp index a59191a229..37680d7578 100644 --- a/lib/atc/SchrodingerSolver.cpp +++ b/lib/atc/SchrodingerSolver.cpp @@ -735,7 +735,7 @@ double fermi_dirac(const double E, const double T) else ATC_Error("schrodinger-poisson solver:too many fixed"); } - GlobalSliceSchrodingerPoissonSolver::~GlobalSliceSchrodingerPoissonSolver(void) { + GlobalSliceSchrodingerPoissonSolver::~GlobalSliceSchrodingerPoissonSolver() { if (solver_) delete solver_; } //-------------------------------------------------------------------------- diff --git a/lib/atc/Stress.cpp b/lib/atc/Stress.cpp index 90608dad15..10ec3ca329 100644 --- a/lib/atc/Stress.cpp +++ b/lib/atc/Stress.cpp @@ -237,7 +237,7 @@ StressCubicElastic::StressCubicElastic(fstream &fileId) } } -void StressCubicElastic::set_tangent(void) +void StressCubicElastic::set_tangent() { C_.reset(6,6); C_(0,0)=C_(1,1)=C_(2,2) =c11_; @@ -374,7 +374,7 @@ StressCauchyBorn::~StressCauchyBorn() //============================================================================== // initialize //============================================================================== -void StressCauchyBorn::initialize(void) +void StressCauchyBorn::initialize() { if (!initialized_) { if (makeLinear_) linearize(); @@ -393,7 +393,7 @@ void StressCauchyBorn::initialize(void) //============================================================================== // compute the bond stiffness consistent with the einstein freq //============================================================================== -double StressCauchyBorn::stiffness(void) const +double StressCauchyBorn::stiffness() const { AtomCluster vac; cblattice_->atom_cluster(eye(3,3), potential_->cutoff_radius(), vac); diff --git a/lib/atc/WeakEquationChargeDiffusion.cpp b/lib/atc/WeakEquationChargeDiffusion.cpp index 246edb0f6e..2384dd246c 100644 --- a/lib/atc/WeakEquationChargeDiffusion.cpp +++ b/lib/atc/WeakEquationChargeDiffusion.cpp @@ -19,7 +19,7 @@ WeakEquationChargeDiffusion::WeakEquationChargeDiffusion() //-------------------------------------------------------------- // Destructor //-------------------------------------------------------------- -WeakEquationChargeDiffusion::~WeakEquationChargeDiffusion(void) +WeakEquationChargeDiffusion::~WeakEquationChargeDiffusion() {} //--------------------------------------------------------------------- // compute capacity diff --git a/lib/atc/WeakEquationDiffusion.cpp b/lib/atc/WeakEquationDiffusion.cpp index 643b7956ba..23393ebdec 100644 --- a/lib/atc/WeakEquationDiffusion.cpp +++ b/lib/atc/WeakEquationDiffusion.cpp @@ -19,7 +19,7 @@ WeakEquationDiffusion::WeakEquationDiffusion() //-------------------------------------------------------------- // Destructor //-------------------------------------------------------------- -WeakEquationDiffusion::~WeakEquationDiffusion(void) +WeakEquationDiffusion::~WeakEquationDiffusion() {} //--------------------------------------------------------------------- // compute capacity diff --git a/lib/atc/WeakEquationElectronContinuity.cpp b/lib/atc/WeakEquationElectronContinuity.cpp index 4c5024c1b1..28b2abd84a 100644 --- a/lib/atc/WeakEquationElectronContinuity.cpp +++ b/lib/atc/WeakEquationElectronContinuity.cpp @@ -18,7 +18,7 @@ WeakEquationElectronContinuity::WeakEquationElectronContinuity() //-------------------------------------------------------------- // Destructor //--------------------------------------------------------------------- -WeakEquationElectronContinuity::~WeakEquationElectronContinuity(void) +WeakEquationElectronContinuity::~WeakEquationElectronContinuity() {} //--------------------------------------------------------------------- @@ -66,7 +66,7 @@ WeakEquationElectronEquilibrium::WeakEquationElectronEquilibrium() //-------------------------------------------------------------- // Destructor //--------------------------------------------------------------------- -WeakEquationElectronEquilibrium::~WeakEquationElectronEquilibrium(void) +WeakEquationElectronEquilibrium::~WeakEquationElectronEquilibrium() {} //--------------------------------------------------------------------- diff --git a/lib/atc/WeakEquationElectronTemperature.cpp b/lib/atc/WeakEquationElectronTemperature.cpp index 368db1005e..975def6486 100644 --- a/lib/atc/WeakEquationElectronTemperature.cpp +++ b/lib/atc/WeakEquationElectronTemperature.cpp @@ -18,7 +18,7 @@ WeakEquationElectronTemperature::WeakEquationElectronTemperature() //-------------------------------------------------------------- // Destructor //--------------------------------------------------------------------- -WeakEquationElectronTemperature::~WeakEquationElectronTemperature(void) +WeakEquationElectronTemperature::~WeakEquationElectronTemperature() {} //--------------------------------------------------------------------- @@ -93,7 +93,7 @@ WeakEquationElectronTemperatureJouleHeating::WeakEquationElectronTemperatureJoul //-------------------------------------------------------------- // Destructor //--------------------------------------------------------------------- -WeakEquationElectronTemperatureJouleHeating::~WeakEquationElectronTemperatureJouleHeating(void) +WeakEquationElectronTemperatureJouleHeating::~WeakEquationElectronTemperatureJouleHeating() {} //--------------------------------------------------------------------- @@ -162,7 +162,7 @@ WeakEquationElectronTemperatureConvection::WeakEquationElectronTemperatureConvec //-------------------------------------------------------------- // Destructor //--------------------------------------------------------------------- -WeakEquationElectronTemperatureConvection::~WeakEquationElectronTemperatureConvection(void) +WeakEquationElectronTemperatureConvection::~WeakEquationElectronTemperatureConvection() { // do nothing } diff --git a/lib/atc/WeakEquationMassDiffusion.cpp b/lib/atc/WeakEquationMassDiffusion.cpp index 122d3ee891..bb079087c3 100644 --- a/lib/atc/WeakEquationMassDiffusion.cpp +++ b/lib/atc/WeakEquationMassDiffusion.cpp @@ -19,7 +19,7 @@ WeakEquationMassDiffusion::WeakEquationMassDiffusion() //-------------------------------------------------------------- // Destructor //-------------------------------------------------------------- -WeakEquationMassDiffusion::~WeakEquationMassDiffusion(void) +WeakEquationMassDiffusion::~WeakEquationMassDiffusion() {} //--------------------------------------------------------------------- // compute capacity diff --git a/lib/atc/WeakEquationPhononTemperature.cpp b/lib/atc/WeakEquationPhononTemperature.cpp index aec735deea..7441ab2ea9 100644 --- a/lib/atc/WeakEquationPhononTemperature.cpp +++ b/lib/atc/WeakEquationPhononTemperature.cpp @@ -19,7 +19,7 @@ WeakEquationPhononTemperature::WeakEquationPhononTemperature() //-------------------------------------------------------------- // Destructor //-------------------------------------------------------------- -WeakEquationPhononTemperature::~WeakEquationPhononTemperature(void) +WeakEquationPhononTemperature::~WeakEquationPhononTemperature() {} //--------------------------------------------------------------------- // compute total energy @@ -67,7 +67,7 @@ WeakEquationPhononTemperatureExchange::WeakEquationPhononTemperatureExchange() //-------------------------------------------------------------- // Destructor //--------------------------------------------------------------------- -WeakEquationPhononTemperatureExchange::~WeakEquationPhononTemperatureExchange(void) +WeakEquationPhononTemperatureExchange::~WeakEquationPhononTemperatureExchange() {} //--------------------------------------------------------------------- diff --git a/lib/atc/WeakEquationSchrodinger.cpp b/lib/atc/WeakEquationSchrodinger.cpp index 07497b1fd5..b4cc3970b3 100644 --- a/lib/atc/WeakEquationSchrodinger.cpp +++ b/lib/atc/WeakEquationSchrodinger.cpp @@ -18,7 +18,7 @@ WeakEquationSchrodinger::WeakEquationSchrodinger() //-------------------------------------------------------------- // Destructor //--------------------------------------------------------------------- -WeakEquationSchrodinger::~WeakEquationSchrodinger(void) +WeakEquationSchrodinger::~WeakEquationSchrodinger() {} //--------------------------------------------------------------------- diff --git a/src/COLVARS/colvarproxy_lammps.cpp b/src/COLVARS/colvarproxy_lammps.cpp index dd1f7eb06d..09c280acf9 100644 --- a/src/COLVARS/colvarproxy_lammps.cpp +++ b/src/COLVARS/colvarproxy_lammps.cpp @@ -98,10 +98,10 @@ colvarproxy_lammps::colvarproxy_lammps(LAMMPS_NS::LAMMPS *lmp, // try to extract a restart prefix from a potential restart command. LAMMPS_NS::Output *outp = _lmp->output; - if ((outp->restart_every_single > 0) && (outp->restart1 != 0)) { + if ((outp->restart_every_single > 0) && (outp->restart1 != nullptr)) { restart_frequency_engine = outp->restart_every_single; restart_output_prefix_str = std::string(outp->restart1); - } else if ((outp->restart_every_double > 0) && (outp->restart2a != 0)) { + } else if ((outp->restart_every_double > 0) && (outp->restart2a != nullptr)) { restart_frequency_engine = outp->restart_every_double; restart_output_prefix_str = std::string(outp->restart2a); } diff --git a/src/COLVARS/ndx_group.cpp b/src/COLVARS/ndx_group.cpp index be54c5dca9..9560c41c6a 100644 --- a/src/COLVARS/ndx_group.cpp +++ b/src/COLVARS/ndx_group.cpp @@ -121,7 +121,7 @@ void Ndx2Group::command(int narg, char **arg) } else { - while (1) { + while (true) { MPI_Bcast(&len,1,MPI_INT,0,world); if (len < 0) break; if (len > 1) { diff --git a/src/GPU/fix_nh_gpu.cpp b/src/GPU/fix_nh_gpu.cpp index fb09245fa4..b6305d3f61 100644 --- a/src/GPU/fix_nh_gpu.cpp +++ b/src/GPU/fix_nh_gpu.cpp @@ -47,7 +47,7 @@ typedef struct { double x,y,z; } dbl3_t; FixNHGPU::FixNHGPU(LAMMPS *lmp, int narg, char **arg) : FixNH(lmp, narg, arg) { - _dtfm = 0; + _dtfm = nullptr; _nlocal3 = 0; _nlocal_max = 0; } diff --git a/src/GPU/fix_nve_asphere_gpu.cpp b/src/GPU/fix_nve_asphere_gpu.cpp index 1323e8b054..a6c4856ea0 100644 --- a/src/GPU/fix_nve_asphere_gpu.cpp +++ b/src/GPU/fix_nve_asphere_gpu.cpp @@ -154,11 +154,11 @@ using namespace FixConst; FixNVEAsphereGPU::FixNVEAsphereGPU(LAMMPS *lmp, int narg, char **arg) : FixNVE(lmp, narg, arg) { - _dtfm = 0; + _dtfm = nullptr; _nlocal_max = 0; - _inertia0 = 0; - _inertia1 = 0; - _inertia2 = 0; + _inertia0 = nullptr; + _inertia1 = nullptr; + _inertia2 = nullptr; } /* ---------------------------------------------------------------------- */ diff --git a/src/INTEL/fix_nve_asphere_intel.cpp b/src/INTEL/fix_nve_asphere_intel.cpp index eda8b48a67..8b6ab72468 100644 --- a/src/INTEL/fix_nve_asphere_intel.cpp +++ b/src/INTEL/fix_nve_asphere_intel.cpp @@ -37,12 +37,12 @@ using namespace FixConst; FixNVEAsphereIntel::FixNVEAsphereIntel(LAMMPS *lmp, int narg, char **arg) : FixNVE(lmp, narg, arg) { - _dtfm = 0; + _dtfm = nullptr; _nlocal3 = 0; _nlocal_max = 0; - _inertia0 = 0; - _inertia1 = 0; - _inertia2 = 0; + _inertia0 = nullptr; + _inertia1 = nullptr; + _inertia2 = nullptr; } /* ---------------------------------------------------------------------- */ diff --git a/src/INTEL/pair_airebo_intel.cpp b/src/INTEL/pair_airebo_intel.cpp index 5b73ba99d2..bde0541bbc 100644 --- a/src/INTEL/pair_airebo_intel.cpp +++ b/src/INTEL/pair_airebo_intel.cpp @@ -570,7 +570,7 @@ void PairAIREBOIntel::eval( if (EVFLAG) fix->add_result_array(f_start, ev_global, offload, eatom, 0, vflag); else - fix->add_result_array(f_start, 0, offload); + fix->add_result_array(f_start, nullptr, offload); } /* ---------------------------------------------------------------------- */ diff --git a/src/INTEL/pair_dpd_intel.cpp b/src/INTEL/pair_dpd_intel.cpp index fe76e81a4e..b1ecd6002d 100644 --- a/src/INTEL/pair_dpd_intel.cpp +++ b/src/INTEL/pair_dpd_intel.cpp @@ -428,7 +428,7 @@ void PairDPDIntel::eval(const int offload, const int vflag, if (EFLAG || vflag) fix->add_result_array(f_start, ev_global, offload, eatom, 0, vflag); else - fix->add_result_array(f_start, 0, offload); + fix->add_result_array(f_start, nullptr, offload); } /* ---------------------------------------------------------------------- diff --git a/src/INTEL/pair_eam_intel.cpp b/src/INTEL/pair_eam_intel.cpp index 56188028cf..7ff7ed16ce 100644 --- a/src/INTEL/pair_eam_intel.cpp +++ b/src/INTEL/pair_eam_intel.cpp @@ -44,7 +44,7 @@ using namespace LAMMPS_NS; PairEAMIntel::PairEAMIntel(LAMMPS *lmp) : PairEAM(lmp) { suffix_flag |= Suffix::INTEL; - fp_float = 0; + fp_float = nullptr; } /* ---------------------------------------------------------------------- */ @@ -656,7 +656,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, if (EFLAG || vflag) fix->add_result_array(f_start, ev_global, offload, eatom, 0, vflag); else - fix->add_result_array(f_start, 0, offload); + fix->add_result_array(f_start, nullptr, offload); } /* ---------------------------------------------------------------------- diff --git a/src/INTEL/pair_gayberne_intel.cpp b/src/INTEL/pair_gayberne_intel.cpp index 32f5f2fe78..cad1f7e372 100644 --- a/src/INTEL/pair_gayberne_intel.cpp +++ b/src/INTEL/pair_gayberne_intel.cpp @@ -881,7 +881,7 @@ void PairGayBerneIntel::eval(const int offload, const int vflag, if (EFLAG || vflag) fix->add_result_array(f_start, ev_global, offload, eatom, 0, 2); else - fix->add_result_array(f_start, 0, offload, 0, 0, 2); + fix->add_result_array(f_start, nullptr, offload, 0, 0, 2); } /* ---------------------------------------------------------------------- */ diff --git a/src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp b/src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp index c5035d5f03..3dfe62ff77 100644 --- a/src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp +++ b/src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp @@ -448,7 +448,7 @@ void PairLJCharmmCoulCharmmIntel::eval(const int offload, const int vflag, if (EFLAG || vflag) fix->add_result_array(f_start, ev_global, offload, eatom, 0, vflag); else - fix->add_result_array(f_start, 0, offload); + fix->add_result_array(f_start, nullptr, offload); } /* ---------------------------------------------------------------------- */ diff --git a/src/INTEL/pair_sw_intel.cpp b/src/INTEL/pair_sw_intel.cpp index f6cf90b1d1..1dbb7b10ac 100644 --- a/src/INTEL/pair_sw_intel.cpp +++ b/src/INTEL/pair_sw_intel.cpp @@ -573,7 +573,7 @@ void PairSWIntel::eval(const int offload, const int vflag, if (EFLAG || vflag) fix->add_result_array(f_start, ev_global, offload, eatom, 0, vflag); else - fix->add_result_array(f_start, 0, offload); + fix->add_result_array(f_start, nullptr, offload); } #else diff --git a/src/MDI/mdi_engine.cpp b/src/MDI/mdi_engine.cpp index 9d13e1f1c6..b76e9d38b8 100644 --- a/src/MDI/mdi_engine.cpp +++ b/src/MDI/mdi_engine.cpp @@ -168,7 +168,7 @@ MDIEngine::MDIEngine(LAMMPS *_lmp, int narg, char ** /*arg*/) : Pointers(_lmp) node_match = true; exit_command = false; - while (1) { + while (true) { // top-level mdi engine only recognizes three nodes // DEFAULT, INIT_MD, INIT_OPTG @@ -760,7 +760,7 @@ void MDIEngine::mdi_optg() timer->init(); timer->barrier_start(); - while (1) { + while (true) { update->minimize->run(1); if (strcmp(mdicmd, "@COORDS") != 0 && strcmp(mdicmd, "@FORCES") != 0) break; @@ -956,9 +956,9 @@ void MDIEngine::create_system() // optionally set charges if specified by ">CHARGES" if (flag_velocities) - lammps_create_atoms(lmp, sys_natoms, NULL, sys_types, sys_coords, sys_velocities, NULL, 1); + lammps_create_atoms(lmp, sys_natoms, nullptr, sys_types, sys_coords, sys_velocities, nullptr, 1); else - lammps_create_atoms(lmp, sys_natoms, NULL, sys_types, sys_coords, NULL, NULL, 1); + lammps_create_atoms(lmp, sys_natoms, nullptr, sys_types, sys_coords, nullptr, nullptr, 1); if (flag_charges) lammps_scatter_atoms(lmp, (char *) "q", 1, 1, sys_charges); diff --git a/src/PHONON/third_order.cpp b/src/PHONON/third_order.cpp index 3bcff07ea7..954089ca65 100644 --- a/src/PHONON/third_order.cpp +++ b/src/PHONON/third_order.cpp @@ -164,8 +164,8 @@ void ThirdOrder::command(int narg, char **arg) folded = 0; // set Neigborlist attributes to NULL - ijnum = NULL; - neighbortags = NULL; + ijnum = nullptr; + neighbortags = nullptr; // read options from end of input line if (style == REGULAR) options(narg-3,&arg[3]);