rechecking some corefiles with IWYU after the many updates

src/comm.cpp

@@ -14,20 +14,20 @@
 #include "comm.h"
 
 #include "accelerator_kokkos.h"
-#include "atom.h"
+#include "atom.h"               // IWYU pragma: keep
 #include "atom_vec.h"
 #include "bond.h"
 #include "compute.h"
-#include "domain.h"
+#include "domain.h"             // IWYU pragma: keep
 #include "dump.h"
 #include "error.h"
 #include "fix.h"
 #include "force.h"
 #include "group.h"
 #include "irregular.h"
-#include "memory.h"
+#include "memory.h"             // IWYU pragma: keep
 #include "modify.h"
-#include "neighbor.h"
+#include "neighbor.h"           // IWYU pragma: keep
 #include "output.h"
 #include "pair.h"
 #include "procmap.h"

src/finish.cpp

@@ -20,13 +20,13 @@
 #include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "memory.h"
+#include "memory.h"             // IWYU pragma: keep
 #include "min.h"
 #include "molecule.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "neighbor.h"
-#include "timer.h"
+#include "neighbor.h"           // IWYU pragma: keep
+#include "timer.h"              // IWYU pragma: keep
 #include "universe.h"
 #include "update.h"
 

src/group.cpp

@@ -33,6 +33,7 @@
 #include <cstring>
 #include <map>
 #include <utility>
+#include <vector>
 
 using namespace LAMMPS_NS;
 

src/lammps.cpp

@@ -30,12 +30,12 @@
 #include "universe.h"
 #include "input.h"
 #include "info.h"
-#include "atom.h"
+#include "atom.h"            // IWYU pragma: keep
 #include "update.h"
-#include "neighbor.h"
+#include "neighbor.h"        // IWYU pragma: keep
 #include "comm.h"
 #include "comm_brick.h"
-#include "domain.h"
+#include "domain.h"          // IWYU pragma: keep
 #include "force.h"
 #include "modify.h"
 #include "group.h"

src/molecule.cpp

@@ -12,23 +12,22 @@
 ------------------------------------------------------------------------- */
 
 #include "molecule.h"
-#include <mpi.h>
-#include <cctype>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_body.h"
-#include "force.h"
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
 #include "tokenizer.h"
 
+#include <cctype>
+#include <cmath>
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #define MAXLINE 256

src/molecule.h

@@ -15,7 +15,7 @@
 #define LMP_ONE_MOLECULE_H
 
 #include "pointers.h"
-#include <string>
+
 #include <vector>
 
 namespace LAMMPS_NS {

src/output.cpp

@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "output.h"
-#include "style_dump.h"
+#include "style_dump.h"         // IWYU pragma: keep
 
 #include "atom.h"
 #include "comm.h"
@@ -79,7 +79,7 @@ Output::Output(LAMMPS *lmp) : Pointers(lmp)
 #define DUMP_CLASS
 #define DumpStyle(key,Class) \
   (*dump_map)[#key] = &dump_creator<Class>;
-#include "style_dump.h"
+#include "style_dump.h"         // IWYU pragma: keep
 #undef DumpStyle
 #undef DUMP_CLASS
 }

src/read_dump.cpp

@@ -29,7 +29,7 @@
 #include "irregular.h"
 #include "memory.h"
 #include "reader.h"
-#include "style_reader.h"
+#include "style_reader.h"       // IWYU pragma: keep
 #include "update.h"
 
 #include <cstring>
@@ -243,7 +243,7 @@ void ReadDump::setup_reader(int narg, char **arg)
     for (int i = 0; i < nreader; i++) \
       readers[i] = new Class(lmp); \
   }
-#include "style_reader.h"
+#include "style_reader.h"       // IWYU pragma: keep
 #undef READER_CLASS
 
   // unrecognized style

src/reader_native.cpp

@@ -13,7 +13,6 @@
 
 #include "reader_native.h"
 
-#include "atom.h"
 #include "error.h"
 #include "memory.h"
 #include "tokenizer.h"

src/reset_mol_ids.cpp

@@ -26,6 +26,8 @@
 #include "group.h"
 #include "modify.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */

src/reset_mol_ids.h

@@ -21,7 +21,6 @@ CommandStyle(reset_mol_ids,ResetMolIDs)
 #define LMP_RESET_MOL_IDS_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS {
 

src/timer.cpp

@@ -12,13 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "timer.h"
-#include <mpi.h>
-#include <cstring>
-#include <cstdlib>
+
 #include "comm.h"
 #include "error.h"
-#include "force.h"
-#include "utils.h"
+
+#include <cstring>
 
 #ifdef _WIN32
 #include <windows.h>

src/universe.cpp

@@ -14,7 +14,6 @@
 #include "universe.h"
 
 #include "error.h"
-#include "force.h"
 #include "memory.h"
 #include "version.h"