include-what-you-use updates

src/angle_hybrid.cpp

@@ -20,7 +20,6 @@
 #include "memory.h"
 #include "neighbor.h"
 
-#include <cctype>
 #include <cstring>
 
 using namespace LAMMPS_NS;

src/atom.h

@@ -21,9 +21,10 @@
 
 namespace LAMMPS_NS {
 
-// forward declaration
+// forward declarations
 
 class AtomVec;
+class Molecule;
 
 class Atom : protected Pointers {
  public:
@@ -252,7 +253,7 @@ class Atom : protected Pointers {
   // 1st molecule in template stores nset = # in set
 
   int nmolecule;
-  class Molecule **molecules;
+  Molecule **molecules;
 
   // type label maps
 
@@ -354,7 +355,7 @@ class Atom : protected Pointers {
   void add_molecule(int, char **);
   int find_molecule(const char *);
   std::vector<Molecule *> get_molecule_by_id(const std::string &);
-  void add_molecule_atom(class Molecule *, int, int, tagint);
+  void add_molecule_atom(Molecule *, int, int, tagint);
 
   void add_label_map();
 

src/atom_vec.cpp

@@ -20,12 +20,8 @@
 #include "fix.h"
 #include "force.h"
 #include "label_map.h"
-#include "math_const.h"
 #include "memory.h"
 #include "modify.h"
-#include "tokenizer.h"
-
-#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/atom_vec_body.cpp

@@ -22,6 +22,8 @@
 #include "modify.h"
 #include "my_pool_chunk.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */

src/atom_vec_ellipsoid.cpp

@@ -25,6 +25,8 @@
 #include "memory.h"
 #include "modify.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using MathConst::MY_PI;
 

src/atom_vec_hybrid.cpp

@@ -16,7 +16,6 @@
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "tokenizer.h"
 
 #include <algorithm>
 #include <cstring>

src/atom_vec_line.cpp

@@ -22,6 +22,7 @@
 #include "modify.h"
 
 #include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using MathConst::MY_PI;

src/atom_vec_sphere.cpp

@@ -20,6 +20,8 @@
 #include "math_const.h"
 #include "modify.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 

src/atom_vec_tri.cpp

@@ -24,6 +24,7 @@
 #include "modify.h"
 
 #include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using MathConst::MY_PI;

src/bond_hybrid.cpp

@@ -20,7 +20,6 @@
 #include "memory.h"
 #include "neighbor.h"
 
-#include <cctype>
 #include <cstring>
 
 using namespace LAMMPS_NS;

src/compute_angmom_chunk.h

@@ -23,6 +23,7 @@ ComputeStyle(angmom/chunk,ComputeAngmomChunk);
 #include "compute.h"
 
 namespace LAMMPS_NS {
+  class Fix;
 
 class ComputeAngmomChunk : public Compute {
  public:
@@ -34,8 +35,8 @@ class ComputeAngmomChunk : public Compute {
   void lock_enable() override;
   void lock_disable() override;
   int lock_length() override;
-  void lock(class Fix *, bigint, bigint) override;
+  void lock(Fix *, bigint, bigint) override;
-  void unlock(class Fix *) override;
+  void unlock(Fix *) override;
 
   double memory_usage() override;
 

src/compute_cluster_atom.cpp

@@ -17,7 +17,6 @@
 #include "comm.h"
 #include "error.h"
 #include "force.h"
-#include "group.h"
 #include "memory.h"
 #include "modify.h"
 #include "neigh_list.h"

src/compute_reduce.cpp

@@ -26,6 +26,7 @@
 #include "update.h"
 #include "variable.h"
 
+#include <cmath>
 #include <cstring>
 
 using namespace LAMMPS_NS;

src/compute_reduce_region.cpp

@@ -15,13 +15,11 @@
 
 #include "arg_info.h"
 #include "atom.h"
-#include "domain.h"
 #include "error.h"
 #include "fix.h"
 #include "group.h"
 #include "input.h"
 #include "memory.h"
-#include "modify.h"
 #include "region.h"
 #include "update.h"
 #include "variable.h"

src/create_atoms.cpp

@@ -38,7 +38,9 @@
 #include "text_file_reader.h"
 #include "variable.h"
 
+#include <cmath>
 #include <cstring>
+#include <exception>
 
 using namespace LAMMPS_NS;
 using MathConst::MY_2PI;

src/dihedral_hybrid.cpp

@@ -20,7 +20,6 @@
 #include "memory.h"
 #include "neighbor.h"
 
-#include <cctype>
 #include <cstring>
 
 using namespace LAMMPS_NS;

src/domain.h

@@ -19,7 +19,6 @@
 #include <cmath>
 #include <map>
 #include <unordered_set>
-#include <vector>
 
 namespace LAMMPS_NS {
 class Region;

src/dump.cpp

@@ -29,6 +29,7 @@
 #include "variable.h"
 
 #include <cstring>
+#include <stdexcept>
 
 using namespace LAMMPS_NS;
 

src/finish.cpp

@@ -24,8 +24,6 @@
 #include "memory.h"             // IWYU pragma: keep
 #include "min.h"
 #include "molecule.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "neighbor.h"           // IWYU pragma: keep
 #include "output.h"
 #include "pair.h"

src/fix_ave_time.cpp

@@ -29,6 +29,7 @@
 #include "variable.h"
 
 #include <cstring>
+#include <stdexcept>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_bond_history.h

@@ -23,8 +23,6 @@ FixStyle(BOND_HISTORY,FixBondHistory);
 #include "fix.h"
 
 #include <map>
-#include <utility>
-#include <vector>
 
 namespace LAMMPS_NS {
 

src/fix_nve_noforce.cpp

@@ -14,7 +14,6 @@
 #include "fix_nve_noforce.h"
 
 #include "atom.h"
-#include "error.h"
 #include "respa.h"
 #include "update.h"
 

src/fix_pair.cpp

@@ -15,19 +15,12 @@
 #include "fix_pair.h"
 
 #include "atom.h"
-#include "dump.h"
 #include "error.h"
 #include "force.h"
 #include "fix.h"
-#include "input.h"
 #include "memory.h"
 #include "pair.h"
-#include "output.h"
-#include "variable.h"
 #include "update.h"
-#include "variable.h"
-
-#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_store_global.cpp

@@ -13,7 +13,6 @@
 
 #include "fix_store_global.h"
 
-#include "atom.h"
 #include "comm.h"
 #include "error.h"
 #include "memory.h"

src/fix_store_local.cpp

@@ -14,7 +14,6 @@
 #include "fix_store_local.h"
 
 #include "atom.h"
-#include "comm.h"
 #include "error.h"
 #include "memory.h"
 #include "update.h"

src/fix_store_peratom.cpp

@@ -14,7 +14,6 @@
 #include "fix_store_peratom.h"
 
 #include "atom.h"
-#include "comm.h"
 #include "error.h"
 #include "memory.h"
 

src/fix_update_special_bonds.h

@@ -23,7 +23,6 @@ FixStyle(UPDATE_SPECIAL_BONDS,FixUpdateSpecialBonds);
 #include "fix.h"
 
 #include <utility>
-#include <vector>
 
 namespace LAMMPS_NS {
 

src/imbalance_neigh.cpp

@@ -17,8 +17,6 @@
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "neighbor.h"
 
 using namespace LAMMPS_NS;

src/improper_hybrid.cpp

@@ -20,7 +20,6 @@
 #include "memory.h"
 #include "neighbor.h"
 
-#include <cctype>
 #include <cstring>
 
 using namespace LAMMPS_NS;

src/label_map.cpp

@@ -17,7 +17,6 @@
 #include "comm.h"
 #include "error.h"
 #include "force.h"
-#include "memory.h"
 
 #include <cstring>
 

src/modify.h

@@ -17,7 +17,6 @@
 #include "pointers.h"
 
 #include <map>
-#include <vector>
 
 namespace LAMMPS_NS {
 

src/pointers.h

@@ -28,6 +28,7 @@
 #include <cstddef>      // IWYU pragme: export
 #include <cstdio>       // IWYU pragma: export
 #include <string>       // IWYU pragma: export
+#include <vector>       // IWYU pragma: export
 
 #include "fmt/format.h" // IWYU pragma: export
 #include "lammps.h"     // IWYU pragma: export