avoid redundant use of boolean literals

lib/gpu/lal_answer.cpp

@@ -94,13 +94,13 @@ bool AnswerT::init(const int inum, const bool charge, const bool rot,
 template <class numtyp, class acctyp>
 bool AnswerT::add_fields(const bool charge, const bool rot) {
   bool realloc=false;
-  if (charge && _charge==false) {
+  if (charge && !_charge) {
     _charge=true;
     _e_fields++;
     _ev_fields++;
     realloc=true;
   }
-  if (rot && _rot==false) {
+  if (rot && !_rot) {
     _rot=true;
     realloc=true;
   }
@@ -163,10 +163,8 @@ void AnswerT::copy_answers(const bool eflag, const bool vflag,
   #endif
 
   int csize=_ev_fields;
-  if (!eflag)
+  if (!eflag) csize-=_e_fields;
-    csize-=_e_fields;
+  if (!vflag) csize-=6;
-  if (!vflag)
-    csize-=6;
 
   if (csize>0)
     engv.update_host(_ev_stride*csize,true);
@@ -192,8 +190,7 @@ void AnswerT::copy_answers(const bool eflag, const bool vflag,
 template <class numtyp, class acctyp>
 double AnswerT::energy_virial(double *eatom, double **vatom,
                                   double *virial) {
-  if (_eflag==false && _vflag==false)
+  if (!_eflag && !_vflag) return 0.0;
-    return 0.0;
 
   double evdwl=0.0;
   int vstart=0;
@@ -241,11 +238,9 @@ double AnswerT::energy_virial(double *eatom, double **vatom,
 template <class numtyp, class acctyp>
 double AnswerT::energy_virial(double *eatom, double **vatom,
                               double *virial, double &ecoul) {
-  if (_eflag==false && _vflag==false)
+  if (!_eflag && !_vflag) return 0.0;
-    return 0.0;
 
-  if (_charge==false)
+  if (!_charge) return energy_virial(eatom,vatom,virial);
-    return energy_virial(eatom,vatom,virial);
 
   double evdwl=0.0;
   int vstart=0, iend=_ev_stride;

lib/gpu/lal_atom.cpp

@@ -107,17 +107,17 @@ bool AtomT::alloc(const int nall) {
   gpu_bytes+=x_cast.device.row_bytes()+type_cast.device.row_bytes();
   #endif
 
-  if (_charge && _host_view==false) {
+  if (_charge && !_host_view) {
     success=success && (q.alloc(_max_atoms,*dev,UCL_WRITE_ONLY,
                                 UCL_READ_ONLY)==UCL_SUCCESS);
     gpu_bytes+=q.device.row_bytes();
   }
-  if (_rot && _host_view==false) {
+  if (_rot && !_host_view) {
     success=success && (quat.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
                                    UCL_READ_ONLY)==UCL_SUCCESS);
     gpu_bytes+=quat.device.row_bytes();
   }
-  if (_vel && _host_view==false) {
+  if (_vel && !_host_view) {
     success=success && (v.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
                                    UCL_READ_ONLY)==UCL_SUCCESS);
     gpu_bytes+=v.device.row_bytes();
@@ -161,37 +161,37 @@ bool AtomT::add_fields(const bool charge, const bool rot,
   // Ignore host/device transfers?
   int gpu_bytes=0;
 
-  if (charge && _charge==false) {
+  if (charge && !_charge) {
     _charge=true;
     _other=true;
-    if (_host_view==false) {
+    if (!_host_view) {
       success=success && (q.alloc(_max_atoms,*dev,UCL_WRITE_ONLY,
                                   UCL_READ_ONLY)==UCL_SUCCESS);
       gpu_bytes+=q.device.row_bytes();
     }
   }
 
-  if (rot && _rot==false) {
+  if (rot && !_rot) {
     _rot=true;
     _other=true;
-    if (_host_view==false) {
+    if (!_host_view) {
       success=success && (quat.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
                                      UCL_READ_ONLY)==UCL_SUCCESS);
       gpu_bytes+=quat.device.row_bytes();
     }
   }
 
-  if (vel && _vel==false) {
+  if (vel && !_vel) {
     _vel=true;
     _other=true;
-    if (_host_view==false) {
+    if (!_host_view) {
       success=success && (v.alloc(_max_atoms*4,*dev,UCL_WRITE_ONLY,
                                      UCL_READ_ONLY)==UCL_SUCCESS);
       gpu_bytes+=v.device.row_bytes();
     }
   }
 
-  if (bonds && _bonds==false) {
+  if (bonds && !_bonds) {
     _bonds=true;
     if (_bonds && _gpu_nbor>0) {
       success=success && (dev_tag.alloc(_max_atoms,*dev,

lib/gpu/lal_device.cpp

@@ -201,9 +201,9 @@ int DeviceT::init_device(MPI_Comm world, MPI_Comm replica, const int ngpu,
     unsigned best_cus = gpu->cus(0);
     bool type_match = (gpu->device_type(0) == type);
     for (int i = 1; i < gpu->num_devices(); i++) {
-      if (type_match==true && gpu->device_type(i)!=type)
+      if (type_match && gpu->device_type(i)!=type)
         continue;
-      if (type_match == false && gpu->device_type(i) == type) {
+      if (type_match && gpu->device_type(i) == type) {
         type_match = true;
         best_cus = gpu->cus(i);
         best_device = i;
@@ -280,7 +280,7 @@ int DeviceT::init_device(MPI_Comm world, MPI_Comm replica, const int ngpu,
   MPI_Comm_rank(_comm_gpu,&_gpu_rank);
 
   #if !defined(CUDA_PROXY) && !defined(CUDA_MPS_SUPPORT)
-  if (_procs_per_gpu>1 && gpu->sharing_supported(my_gpu)==false)
+  if (_procs_per_gpu>1 && !gpu->sharing_supported(my_gpu))
     return -7;
   #endif
 
@@ -400,7 +400,7 @@ int DeviceT::set_ocl_params(std::string s_config, const std::string &extra_args)
   _ocl_compile_string += " -DCONFIG_ID="+params[0]+
                          " -DSIMD_SIZE="+params[1]+
                          " -DMEM_THREADS="+params[2];
-  if (gpu->has_shuffle_support()==false)
+  if (!gpu->has_shuffle_support())
     _ocl_compile_string+=" -DSHUFFLE_AVAIL=0";
   else
     _ocl_compile_string+=" -DSHUFFLE_AVAIL="+params[3];
@@ -443,7 +443,7 @@ int DeviceT::init(Answer<numtyp,acctyp> &ans, const bool charge,
                   const bool vel) {
   if (!_device_init)
     return -1;
-  if (sizeof(acctyp)==sizeof(double) && gpu->double_precision()==false)
+  if (sizeof(acctyp)==sizeof(double) && !gpu->double_precision())
     return -5;
 
   // Counts of data transfers for timing overhead estimates
@@ -480,11 +480,11 @@ int DeviceT::init(Answer<numtyp,acctyp> &ans, const bool charge,
     if (vel)
       _data_in_estimate++;
   } else {
-    if (atom.charge()==false && charge)
+    if (!atom.charge() && charge)
       _data_in_estimate++;
-    if (atom.quaternion()==false && rot)
+    if (!atom.quaternion() && rot)
       _data_in_estimate++;
-    if (atom.velocity()==false && vel)
+    if (!atom.velocity() && vel)
       _data_in_estimate++;
     if (!atom.add_fields(charge,rot,gpu_nbor,gpu_nbor>0 && maxspecial,vel))
       return -3;
@@ -502,7 +502,7 @@ int DeviceT::init(Answer<numtyp,acctyp> &ans, const int nlocal,
                          const int nall) {
   if (!_device_init)
     return -1;
-  if (sizeof(acctyp)==sizeof(double) && gpu->double_precision()==false)
+  if (sizeof(acctyp)==sizeof(double) && !gpu->double_precision())
     return -5;
 
   if (_init_count==0) {

lib/gpu/lal_neighbor.cpp

@@ -113,7 +113,7 @@ bool Neighbor::init(NeighborShared *shared, const int inum,
   if (!success)
     return false;
 
-  if (_use_packing==false) {
+  if (!_use_packing) {
     #ifndef LAL_USE_OLD_NEIGHBOR
       _shared->compile_kernels(devi, gpu_nbor, compile_flags+
         " -DMAX_SUBGROUPS_PER_BLOCK="+toa(_block_nbor_build/_simd_size));
@@ -153,7 +153,7 @@ void Neighbor::alloc(bool &success) {
   int nt=_max_atoms+_max_host;
   if (_max_nbors)
     _max_nbors = ((_max_nbors-1)/_threads_per_atom+1)*_threads_per_atom;
-  if (_use_packing==false || _gpu_nbor>0) {
+  if (!_use_packing || _gpu_nbor>0) {
     if (_max_nbors)
       success=success &&
         (dev_nbor.alloc((_max_nbors+2)*_max_atoms,*dev)==UCL_SUCCESS);
@@ -166,7 +166,7 @@ void Neighbor::alloc(bool &success) {
 
   _c_bytes=dev_nbor.row_bytes();
   if (_alloc_packed) {
-    if (_use_packing==false) {
+    if (!_use_packing) {
       dev_packed_begin.clear();
       success=success && (dev_packed_begin.alloc(_max_atoms,*dev,
          _packed_permissions)==UCL_SUCCESS);
@@ -373,7 +373,7 @@ void Neighbor::get_host(const int inum, int *ilist, int *numj,
 
   time_nbor.stop();
 
-  if (_use_packing==false) {
+  if (!_use_packing) {
     time_kernel.start();
     int GX=static_cast<int>(ceil(static_cast<double>(inum)*_threads_per_atom/
                                  block_size));
@@ -450,7 +450,7 @@ void Neighbor::get_host3(const int inum, const int nlist, int *ilist, int *numj,
   }
   time_nbor.stop();
 
-  if (_use_packing==false) {
+  if (!_use_packing) {
     time_kernel.start();
     int GX=static_cast<int>(ceil(static_cast<double>(inum)*_threads_per_atom/
                                  block_size));

lib/gpu/lal_pppm.cpp

@@ -303,7 +303,7 @@ int PPPMT::spread(const int ago, const int nlocal, const int nall,
                            double *host_q, double *boxlo,
                            const double delxinv, const double delyinv,
                            const double delzinv) {
-  if (_precompute_done==false) {
+  if (!_precompute_done) {
     atom->acc_timers();
     _precompute(ago,nlocal,nall,host_x,host_type,success,host_q,boxlo,delxinv,
                 delyinv,delzinv);
@@ -359,7 +359,7 @@ void PPPMT::interp(const grdtyp qqrd2e_scale) {
   time_interp.stop();
 
   ans->copy_answers(false,false,false,false,0);
-  if (_kspace_split==false)
+  if (!_kspace_split)
     device->add_ans_object(ans);
 }
 

lib/gpu/lal_pppm_ext.cpp

@@ -101,7 +101,7 @@ float * pppm_gpu_init_f(const int nlocal, const int nall, FILE *screen,
   float *b=pppm_gpu_init(PPPMF,nlocal,nall,screen,order,nxlo_out,nylo_out,
                          nzlo_out,nxhi_out,nyhi_out,nzhi_out,rho_coeff,vd_brick,
                          slab_volfactor,nx_pppm,ny_pppm,nz_pppm,split,success);
-  if (split==false && respa==false)
+  if (!split && !respa)
     PPPMF.device->set_single_precompute(&PPPMF);
   return b;
 }
@@ -146,7 +146,7 @@ double * pppm_gpu_init_d(const int nlocal, const int nall, FILE *screen,
                           nzlo_out,nxhi_out,nyhi_out,nzhi_out,rho_coeff,
                           vd_brick,slab_volfactor,nx_pppm,ny_pppm,nz_pppm,
                           split,success);
-  if (split==false && respa==false)
+  if (!split && !respa)
     PPPMD.device->set_double_precompute(&PPPMD);
   return b;
 }

lib/gpu/lal_yukawa_colloid.cpp

@@ -69,7 +69,7 @@ int YukawaColloidT::init(const int ntypes,
 
   _max_rad_size=static_cast<int>(static_cast<double>(ef_nall)*1.10);
 
-  if (_shared_view==false)
+  if (!_shared_view)
     c_rad.alloc(_max_rad_size,*(this->ucl_device),UCL_WRITE_ONLY,UCL_READ_ONLY);
 
   rad_tex.get_texture(*(this->pair_program),"rad_tex");
@@ -157,7 +157,7 @@ void YukawaColloidT::compute(const int f_ago, const int inum_full,
 
   if (nall>_max_rad_size) {
     _max_rad_size=static_cast<int>(static_cast<double>(nall)*1.10);
-    if (_shared_view==false) {
+    if (!_shared_view) {
       c_rad.resize(_max_rad_size);
       rad_tex.bind_float(c_rad,1);
     }
@@ -229,7 +229,7 @@ int** YukawaColloidT::compute(const int ago, const int inum_full,
 
   if (nall>_max_rad_size) {
     _max_rad_size=static_cast<int>(static_cast<double>(nall)*1.10);
-    if (_shared_view==false) {
+    if (!_shared_view) {
       c_rad.resize(_max_rad_size);
       rad_tex.bind_float(c_rad,1);
     }

src/AWPMD/pair_awpmd_cut.cpp

@@ -95,10 +95,7 @@ struct cmp_x{
       else if (d>tol)
         return false;
       d=xx[left.second][2]-xx[right.second][2];
-      if (d<-tol)
+      return d < -tol;
-        return true;
-      else
-        return false;
     }
     else
       return left.first<right.first;

src/GPU/pair_eam_alloy_gpu.cpp

@@ -212,7 +212,7 @@ double PairEAMAlloyGPU::single(int i, int j, int itype, int jtype, double rsq,
   z2 = ((coeff[3] * p + coeff[4]) * p + coeff[5]) * p + coeff[6];
 
   double fp_i, fp_j;
-  if (fp_single == false) {
+  if (!fp_single) {
     fp_i = ((double *) fp_pinned)[i];
     fp_j = ((double *) fp_pinned)[j];
   } else {

src/GPU/pair_eam_fs_gpu.cpp

@@ -212,7 +212,7 @@ double PairEAMFSGPU::single(int i, int j, int itype, int jtype, double rsq,
   z2 = ((coeff[3] * p + coeff[4]) * p + coeff[5]) * p + coeff[6];
 
   double fp_i, fp_j;
-  if (fp_single == false) {
+  if (!fp_single) {
     fp_i = ((double *) fp_pinned)[i];
     fp_j = ((double *) fp_pinned)[j];
   } else {

src/GPU/pair_eam_gpu.cpp

@@ -209,7 +209,7 @@ double PairEAMGPU::single(int i, int j, int itype, int jtype, double rsq, double
   z2 = ((coeff[3] * p + coeff[4]) * p + coeff[5]) * p + coeff[6];
 
   double fp_i, fp_j;
-  if (fp_single == false) {
+  if (!fp_single) {
     fp_i = ((double *) fp_pinned)[i];
     fp_j = ((double *) fp_pinned)[j];
   } else {

src/GRANULAR/pair_granular.cpp

@@ -188,7 +188,7 @@ void PairGranular::compute(int eflag, int vflag)
   double *history,*allhistory,**firsthistory;
 
   bool touchflag = false;
-  const bool historyupdate = (update->setupflag) ? false : true;
+  const bool historyupdate = update->setupflag != 0;
 
   ev_init(eflag,vflag);
 

src/KIM/kim_param.cpp

@@ -181,20 +181,17 @@ void KimParam::command(int narg, char **arg)
 
   std::string atom_type_list;
 
-  bool isPairStyleAssigned = force->pair ? true : false;
+  if (force->pair) {
-  if (isPairStyleAssigned) {
     Pair *pair = force->pair_match("kim", 1, 0);
     if (pair) {
       auto pairKIM = reinterpret_cast<PairKIM *>(pair);
 
       pkim = pairKIM->get_kim_model();
-      if (!pkim)
+      if (!pkim) error->all(FLERR, "Unable to get the KIM Portable Model");
-        error->all(FLERR, "Unable to get the KIM Portable Model");
 
       if (kim_param_get_set == "set") {
         atom_type_list = pairKIM->get_atom_type_list();
-        if (atom_type_list.empty())
+        if (atom_type_list.empty()) error->all(FLERR, "The requested atom type list is empty");
-          error->all(FLERR, "The requested atom type list is empty");
       }
     } else
       error->all(FLERR, "Pair style is defined, but there is "

src/KIM/pair_kim.cpp

@@ -1057,18 +1057,15 @@ int PairKIM::check_for_routine_compatibility()
         pkim, modelRoutineName, &present, &required);
     if (error) return true;
 
-    if ((present == true) && (required == true)) {
+    if (present && required) {
-      if (!(KIM_ModelRoutineName_Equal(modelRoutineName,
+      if (!(KIM_ModelRoutineName_Equal(modelRoutineName, KIM_MODEL_ROUTINE_NAME_Create)
-                                       KIM_MODEL_ROUTINE_NAME_Create)
+            || KIM_ModelRoutineName_Equal(modelRoutineName,
-            || KIM_ModelRoutineName_Equal(
-                   modelRoutineName,
                                           KIM_MODEL_ROUTINE_NAME_ComputeArgumentsCreate)
             || KIM_ModelRoutineName_Equal(modelRoutineName,
                                           KIM_MODEL_ROUTINE_NAME_Compute)
             || KIM_ModelRoutineName_Equal(modelRoutineName,
                                           KIM_MODEL_ROUTINE_NAME_Refresh)
-            || KIM_ModelRoutineName_Equal(
+            || KIM_ModelRoutineName_Equal(modelRoutineName,
-                   modelRoutineName,
                                           KIM_MODEL_ROUTINE_NAME_ComputeArgumentsDestroy)
             || KIM_ModelRoutineName_Equal(modelRoutineName,
                                           KIM_MODEL_ROUTINE_NAME_Destroy))) {

src/OPENMP/fix_omp.cpp

@@ -198,10 +198,8 @@ void FixOMP::init()
       && !utils::strmatch(update->integrate_style,"^respa/omp"))
     error->all(FLERR,"Must use respa/omp for r-RESPA with /omp styles");
 
-  if (force->pair && force->pair->compute_flag) _pair_compute_flag = true;
+  _pair_compute_flag = force->pair && force->pair->compute_flag;
-  else _pair_compute_flag = false;
+  _kspace_compute_flag = force->kspace && force->kspace->compute_flag;
-  if (force->kspace && force->kspace->compute_flag) _kspace_compute_flag = true;
-  else _kspace_compute_flag = false;
 
   int check_hybrid, kspace_split;
   last_pair_hybrid = nullptr;

src/PHONON/dynamical_matrix.cpp

@@ -427,8 +427,7 @@ void DynamicalMatrix::displace_atom(int local_idx, int direction, int magnitude)
 void DynamicalMatrix::update_force()
 {
   neighbor->ago = 0;
-  if ((modify->get_fix_by_id("package_intel")) ? true : false)
+  if (modify->get_fix_by_id("package_intel")) neighbor->decide();
-    neighbor->decide();
   force_clear();
   int n_pre_force = modify->n_pre_force;
   int n_pre_reverse = modify->n_pre_reverse;

src/PHONON/third_order.cpp

@@ -485,8 +485,7 @@ void ThirdOrder::displace_atom(int local_idx, int direction, int magnitude)
 void ThirdOrder::update_force()
 {
   neighbor->ago = 0;
-  if ((modify->get_fix_by_id("package_intel")) ? true : false)
+  if (modify->get_fix_by_id("package_intel")) neighbor->decide();
-    neighbor->decide();
   force_clear();
   int n_post_force = modify->n_post_force;
   int n_pre_force = modify->n_pre_force;

src/atom_vec.cpp

@@ -2387,7 +2387,7 @@ void AtomVec::setup_fields()
   else threads = nullptr;
   for (int i = 0; i < ngrow; i++) {
     Atom::PerAtom *field = &atom->peratom[mgrow.index[i]];
-    threads[i] = (field->threadflag) ? true : false;
+    threads[i] = field->threadflag == 1;
   }
 
   // set style-specific sizes

src/atom_vec_body.cpp

@@ -105,7 +105,7 @@ void AtomVecBody::process_args(int narg, char **arg)
 
   if (narg < 1) error->all(FLERR,"Invalid atom_style body command");
 
-  if (false) {
+  if (false) {  // NOLINT
     bptr = nullptr;
 
 #define BODY_CLASS

src/info.cpp

@@ -785,13 +785,13 @@ bool Info::is_active(const char *category, const char *name)
 
   if (strcmp(category,"package") == 0) {
     if (strcmp(name,"gpu") == 0) {
-      return (modify->get_fix_by_id("package_gpu")) ? true : false;
+      return modify->get_fix_by_id("package_gpu") != nullptr;
     } else if (strcmp(name,"intel") == 0) {
-      return (modify->get_fix_by_id("package_intel")) ? true : false;
+      return modify->get_fix_by_id("package_intel") != nullptr;
     } else if (strcmp(name,"kokkos") == 0) {
-      return (lmp->kokkos && lmp->kokkos->kokkos_exists) ? true : false;
+      return lmp->kokkos && lmp->kokkos->kokkos_exists;
     } else if (strcmp(name,"omp") == 0) {
-      return (modify->get_fix_by_id("package_omp")) ? true : false;
+      return modify->get_fix_by_id("package_omp") != nullptr;
     } else error->all(FLERR,"Unknown name for info package category: {}", name);
 
   } else if (strcmp(category,"newton") == 0) {

src/read_dump.cpp

@@ -233,7 +233,7 @@ void ReadDump::setup_reader(int narg, char **arg)
   // create Nreader reader classes per reader
   // match readerstyle to options in style_reader.h
 
-  if (false) {
+  if (false) {     // NOLINT
     return;        // dummy line to enable else-if macro expansion
 
 #define READER_CLASS

src/write_dump.cpp

@@ -56,7 +56,7 @@ void WriteDump::command(int narg, char **arg)
   for (int i = 2; i < modindex; ++i)
     dumpargs[i+2] = arg[i];
 
-  if (false) {
+  if (false) {      // NOLINT
     return;         // dummy branch to enable else-if macro expansion
 
 #define DUMP_CLASS