Merge pull request #3285 from akohlmey/clang-format-clang-tidy

Apply clang-tidy and clang-format to update/modernize/simplify recently modified code

src/COLVARS/colvarproxy_lammps.cpp

@@ -117,7 +117,7 @@ void colvarproxy_lammps::init(const char *conf_file)
   if (_lmp->update->ntimestep != 0) {
     cvm::log("Setting initial step number from LAMMPS: "+
              cvm::to_str(_lmp->update->ntimestep)+"\n");
-    colvars->it = colvars->it_restart =
+    colvarmodule::it = colvarmodule::it_restart =
       static_cast<cvm::step_number>(_lmp->update->ntimestep);
   }
 
@@ -174,7 +174,7 @@ double colvarproxy_lammps::compute()
   } else {
     // Use the time step number from LAMMPS Update object
     if (_lmp->update->ntimestep - previous_step == 1) {
-      colvars->it++;
+      colvarmodule::it++;
       b_simulation_continuing = false;
     } else {
       // Cases covered by this condition:
@@ -209,7 +209,7 @@ double colvarproxy_lammps::compute()
 
   if (cvm::debug()) {
     cvm::log(std::string(cvm::line_marker)+
-             "colvarproxy_lammps, step no. "+cvm::to_str(colvars->it)+"\n"+
+             "colvarproxy_lammps, step no. "+cvm::to_str(colvarmodule::it)+"\n"+
              "Updating internal data.\n");
   }
 
@@ -269,7 +269,7 @@ cvm::rvector colvarproxy_lammps::position_distance(cvm::atom_pos const &pos1,
   double ytmp = pos2.y - pos1.y;
   double ztmp = pos2.z - pos1.z;
   _lmp->domain->minimum_image(xtmp,ytmp,ztmp);
-  return cvm::rvector(xtmp, ytmp, ztmp);
+  return {xtmp, ytmp, ztmp};
 }
 
 

src/COLVARS/fix_colvars.cpp

@@ -135,8 +135,6 @@ static void rebuild_table_int(inthash_t *tptr) {
 
   /* free memory used by old table */
   free(old_bucket);
-
-  return;
 }
 
 /*
@@ -166,8 +164,6 @@ void inthash_init(inthash_t *tptr, int buckets) {
 
   /* allocate memory for table */
   tptr->bucket=(inthash_node_t **) calloc(tptr->size, sizeof(inthash_node_t *));
-
-  return;
 }
 
 /*
@@ -847,7 +843,6 @@ void FixColvars::post_force_respa(int vflag, int ilevel, int /*iloop*/)
 {
   /* only process colvar forces on the outmost RESPA level. */
   if (ilevel == nlevels_respa-1) post_force(vflag);
-  return;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -939,7 +934,7 @@ void FixColvars::end_of_step()
 void FixColvars::write_restart(FILE *fp)
 {
   if (me == 0) {
-    std::string rest_text("");
+    std::string rest_text;
     proxy->serialize_status(rest_text);
     // TODO call write_output_files()
     const char *cvm_state = rest_text.c_str();

src/COLVARS/ndx_group.cpp

@@ -76,7 +76,7 @@ void Ndx2Group::command(int narg, char **arg)
   int len;
   bigint num;
   FILE *fp;
-  std::string name = "", next;
+  std::string name, next;
 
   if (narg < 1) error->all(FLERR,"Illegal ndx2group command");
   if (atom->tag_enable == 0)

src/ELECTRODE/ewald_electrode.cpp

@@ -40,7 +40,7 @@ using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */
 
-EwaldElectrode::EwaldElectrode(LAMMPS *lmp) : Ewald(lmp), ElectrodeKSpace()
+EwaldElectrode::EwaldElectrode(LAMMPS *lmp) : Ewald(lmp)
 {
   eikr_step = -1;
 }

src/ELECTRODE/pppm_electrode.cpp

@@ -65,8 +65,7 @@ enum { FORWARD_IK, FORWARD_AD, FORWARD_IK_PERATOM, FORWARD_AD_PERATOM };
 /* ---------------------------------------------------------------------- */
 
 PPPMElectrode::PPPMElectrode(LAMMPS *lmp) :
-    PPPM(lmp), ElectrodeKSpace(), electrolyte_density_brick(nullptr),
-    electrolyte_density_fft(nullptr)
+    PPPM(lmp), electrolyte_density_brick(nullptr), electrolyte_density_fft(nullptr)
 {
   group_group_enable = 0;
   electrolyte_density_brick = nullptr;