From e0792d3a629b2015698081307b47c0cbe12fb025 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 11 Dec 2022 18:44:50 -0500 Subject: [PATCH] apply code changes suggested by clang-tidy --- src/ELECTRODE/fix_electrode_conp.cpp | 2 +- src/ELECTRODE/fix_electrode_conp.h | 2 +- src/ML-POD/fitpod_command.cpp | 11 ++++++----- src/ML-POD/fitpod_command.h | 4 ++-- src/REACTION/fix_bond_react.cpp | 2 +- src/STUBS/mpi.cpp | 12 ++++++------ src/info.cpp | 7 +++---- 7 files changed, 20 insertions(+), 20 deletions(-) diff --git a/src/ELECTRODE/fix_electrode_conp.cpp b/src/ELECTRODE/fix_electrode_conp.cpp index 73c029a61f..da6d16819e 100644 --- a/src/ELECTRODE/fix_electrode_conp.cpp +++ b/src/ELECTRODE/fix_electrode_conp.cpp @@ -867,7 +867,7 @@ void FixElectrodeConp::update_charges() accel_interface->intel_pack_buffers(); } -std::vector FixElectrodeConp::ele_ele_interaction(std::vector q_local) +std::vector FixElectrodeConp::ele_ele_interaction(const std::vector& q_local) { assert(q_local.size() == nlocalele); assert(algo == Algo::CG || algo == Algo::MATRIX_CG); diff --git a/src/ELECTRODE/fix_electrode_conp.h b/src/ELECTRODE/fix_electrode_conp.h index 42b0e5f52b..02e4e35c42 100644 --- a/src/ELECTRODE/fix_electrode_conp.h +++ b/src/ELECTRODE/fix_electrode_conp.h @@ -75,7 +75,7 @@ class FixElectrodeConp : public Fix { virtual std::vector constraint_projection(std::vector); virtual std::vector constraint_correction(std::vector); virtual void compute_macro_matrices(); - std::vector ele_ele_interaction(std::vector); + std::vector ele_ele_interaction(const std::vector&); std::vector group_psi; std::vector group_bits; std::vector groups; diff --git a/src/ML-POD/fitpod_command.cpp b/src/ML-POD/fitpod_command.cpp index 810ceb8a7f..272c5fe4df 100644 --- a/src/ML-POD/fitpod_command.cpp +++ b/src/ML-POD/fitpod_command.cpp @@ -37,6 +37,7 @@ #include #include #include +#include #include using namespace LAMMPS_NS; @@ -253,7 +254,7 @@ void FitPOD::get_exyz_files(std::vector& files, const std::string & int FitPOD::get_number_atom_exyz(std::vector& num_atom, int& num_atom_sum, std::string file) { - std::string filename = file; + std::string filename = std::move(file); FILE *fp; if (comm->me == 0) { fp = utils::open_potential(filename,lmp,nullptr); @@ -325,7 +326,7 @@ void FitPOD::read_exyz_file(double *lattice, double *stress, double *energy, dou int *atomtype, std::string file, std::vector species) { - std::string filename = file; + std::string filename = std::move(file); FILE *fp; if (comm->me == 0) { fp = utils::open_potential(filename,lmp,nullptr); @@ -459,7 +460,7 @@ void FitPOD::read_exyz_file(double *lattice, double *stress, double *energy, dou } } -void FitPOD::get_data(datastruct &data, std::vector species) +void FitPOD::get_data(datastruct &data, const std::vector& species) { get_exyz_files(data.data_files, data.data_path, data.file_extension); data.num_atom_sum = get_number_atoms(data.num_atom, data.num_atom_each_file, data.num_config, data.data_files); @@ -707,7 +708,7 @@ void FitPOD::select_data(datastruct &newdata, const datastruct &data) "", maxname+90, "data_file", maxname, "", maxname+90); for (int i=0; i< (int) newdata.data_files.size(); i++) { std::string filename = newdata.data_files[i].substr(newdata.data_path.size()+1,newdata.data_files[i].size()); - newdata.filenames.push_back(filename.c_str()); + newdata.filenames.emplace_back(filename.c_str()); if (comm->me == 0) utils::logmesg(lmp, " {:<{}} | {:>8} | {:>8} | {:>8} | {:>8}\n", newdata.filenames[i], maxname, newdata.num_config[i], newdata.num_atom_each_file[i], @@ -720,7 +721,7 @@ void FitPOD::select_data(datastruct &newdata, const datastruct &data) } } -void FitPOD::read_data_files(std::string data_file, std::vector species) +void FitPOD::read_data_files(const std::string& data_file, const std::vector& species) { datastruct data; diff --git a/src/ML-POD/fitpod_command.h b/src/ML-POD/fitpod_command.h index e0928c8df3..b359130240 100644 --- a/src/ML-POD/fitpod_command.h +++ b/src/ML-POD/fitpod_command.h @@ -155,12 +155,12 @@ class FitPOD : public Command { std::vector &num_config, std::vector training_files); void read_exyz_file(double *lattice, double *stress, double *energy, double *pos, double *forces, int *atomtype, std::string file, std::vector species); - void get_data(datastruct &data, std::vector species); + void get_data(datastruct &data, const std::vector& species); std::vector linspace(int start_in, int end_in, int num_in); std::vector shuffle(int start_in, int end_in, int num_in); std::vector select(int n, double fraction, int randomize); void select_data(datastruct &newdata, const datastruct &data); - void read_data_files(std::string data_file, std::vector species); + void read_data_files(const std::string& data_file, const std::vector& species); int latticecoords(double *y, int *alist, double *x, double *a1, double *a2, double *a3, double rcut, int *pbc, int nx); int podneighborlist(int *neighlist, int *numneigh, double *r, double rcutsq, int nx, int N, diff --git a/src/REACTION/fix_bond_react.cpp b/src/REACTION/fix_bond_react.cpp index ae5f9d91eb..0f684a68c0 100644 --- a/src/REACTION/fix_bond_react.cpp +++ b/src/REACTION/fix_bond_react.cpp @@ -2308,7 +2308,7 @@ double FixBondReact::custom_constraint(const std::string& varstr) evlstr.push_back(varstr.substr(prev3+1)); for (auto & evl : evlstr) evlcat += evl; - return input->variable->compute_equal(evlcat.c_str()); + return input->variable->compute_equal(evlcat); } /* ---------------------------------------------------------------------- diff --git a/src/STUBS/mpi.cpp b/src/STUBS/mpi.cpp index b68270bbe8..f3d0e15c9c 100644 --- a/src/STUBS/mpi.cpp +++ b/src/STUBS/mpi.cpp @@ -17,10 +17,10 @@ #include "../version.h" -#include -#include -#include -#include +#include +#include +#include +#include #if defined(_WIN32) #define WIN32_LEAN_AND_MEAN @@ -183,7 +183,7 @@ double MPI_Wtime() double time; struct timeval tv; - gettimeofday(&tv, NULL); + gettimeofday(&tv, nullptr); time = 1.0 * tv.tv_sec + 1.0e-6 * tv.tv_usec; return time; #endif @@ -223,7 +223,7 @@ static int stubtypesize(MPI_Datatype datatype) int MPI_Type_size(MPI_Datatype datatype, int *size) { - if (size == NULL) return MPI_ERR_ARG; + if (size == nullptr) return MPI_ERR_ARG; *size = stubtypesize(datatype); return 0; diff --git a/src/info.cpp b/src/info.cpp index 1e1e8122aa..92ae524239 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -1185,11 +1185,10 @@ bool Info::has_accelerator_feature(const std::string &package, } if (category == "api") { #if defined(_OPENMP) - if (setting == "openmp") return true; + return setting == "openmp"; #else - if (setting == "serial") return true; + return setting == "serial"; #endif - return false; } } #endif @@ -1198,7 +1197,7 @@ bool Info::has_accelerator_feature(const std::string &package, if (category == "precision") { if (setting == "double") return true; else if (setting == "mixed") return true; - else if (setting == "single")return true; + else if (setting == "single") return true; else return false; } if (category == "api") {