IWYU reported header updates

src/body.cpp

@@ -12,7 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "body.h"
-#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/compute.cpp

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

src/compute_chunk_spread_atom.cpp

@@ -23,6 +23,8 @@
 #include "modify.h"
 #include "update.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */

src/compute_reduce.cpp

@@ -25,6 +25,8 @@
 #include "update.h"
 #include "variable.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #define BIG 1.0e20

src/compute_temp_region.cpp

@@ -13,15 +13,14 @@
 
 #include "compute_temp_region.h"
 
-#include <cstring>
 #include "atom.h"
-#include "update.h"
-#include "force.h"
 #include "domain.h"
-#include "region.h"
+#include "error.h"
+#include "force.h"
 #include "group.h"
 #include "memory.h"
-#include "error.h"
+#include "region.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 

src/fix.cpp

@@ -21,7 +21,6 @@
 #include "memory.h"
 
 #include <cstring>
-#include <cctype>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_controller.cpp

@@ -21,8 +21,6 @@
 #include "update.h"
 #include "variable.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 using namespace FixConst;
 

src/fix_enforce2d.cpp

@@ -12,14 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_enforce2d.h"
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
 #include "domain.h"
+#include "error.h"
 #include "modify.h"
 #include "respa.h"
-#include "error.h"
-
+#include "update.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_lineforce.cpp

@@ -19,7 +19,6 @@
 #include "update.h"
 
 #include <cmath>
-#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_nph_sphere.cpp

@@ -16,8 +16,6 @@
 #include "error.h"
 #include "modify.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 using namespace FixConst;
 

src/fix_npt_sphere.cpp

@@ -16,8 +16,6 @@
 #include "error.h"
 #include "modify.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 using namespace FixConst;
 

src/fix_nve_limit.cpp

@@ -13,16 +13,15 @@
 
 #include "fix_nve_limit.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "respa.h"
-#include "modify.h"
 #include "comm.h"
 #include "error.h"
+#include "force.h"
+#include "modify.h"
+#include "respa.h"
+#include "update.h"
 
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_nve_noforce.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nve_noforce.h"
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
 #include "error.h"
+#include "respa.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_planeforce.cpp

@@ -19,7 +19,6 @@
 #include "update.h"
 
 #include <cmath>
-#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_store_force.cpp

@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_store_force.h"
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "respa.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;

src/fix_vector.cpp

@@ -22,8 +22,6 @@
 #include "update.h"
 #include "variable.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 using namespace FixConst;
 

src/group.cpp

@@ -35,7 +35,6 @@
 #include <cstring>
 #include <map>
 #include <utility>
-#include <vector>
 
 using namespace LAMMPS_NS;
 

src/imbalance_store.cpp

@@ -16,8 +16,6 @@
 #include "atom.h"
 #include "error.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 
 /* -------------------------------------------------------------------- */

src/imbalance_var.cpp

@@ -20,8 +20,6 @@
 #include "memory.h"
 #include "variable.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 
 /* -------------------------------------------------------------------- */

src/info.cpp

@@ -39,7 +39,6 @@
 #include "pair.h"
 #include "pair_hybrid.h"
 #include "region.h"
-#include "universe.h"
 #include "update.h"
 #include "variable.h"
 

src/library.cpp

@@ -31,7 +31,6 @@
 #include "group.h"
 #include "info.h"
 #include "input.h"
-#include "integrate.h"
 #include "memory.h"
 #include "modify.h"
 #include "molecule.h"

src/math_eigen.cpp

@@ -18,7 +18,9 @@
 #include "math_eigen.h"
 #include "math_eigen_impl.h"
 
-#include<array>
+#include <array>
+#include <utility>
+#include <vector>
 
 using std::vector;
 using std::array;

src/math_special.cpp

@@ -4,8 +4,6 @@
 #include <cstdint> // IWYU pragma: keep
 #include <limits>
 
-#include "error.h"
-
 using namespace LAMMPS_NS;
 
 static constexpr int nmaxfactorial = 167;

src/my_pool_chunk.cpp

@@ -14,7 +14,6 @@
 #include "my_pool_chunk.h"
 
 #include <cstdlib>
-#include <cstdio>
 
 #if defined(LMP_USER_INTEL) && !defined(LAMMPS_MEMALIGN) && !defined(_WIN32)
 #define LAMMPS_MEMALIGN 64

src/npair_full_bin_atomonly.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_full_bin_atomonly.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_bin_atomonly_newton.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_bin_atomonly_newton.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_bin_newtoff.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_bin_newtoff.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_bin_newton.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_bin_newton.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_bin_newton_tri.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_bin_newton_tri.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_multi_newtoff.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_multi_newtoff.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_multi_newton.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_multi_newton.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_multi_newton_tri.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_multi_newton_tri.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_nsq_newtoff.cpp

@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_nsq_newtoff.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
+#include "error.h"
 #include "group.h"
 #include "my_page.h"
-#include "error.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_half_size_nsq_newton.cpp

@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_size_nsq_newton.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
+#include "error.h"
 #include "group.h"
 #include "my_page.h"
-#include "error.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_halffull_newtoff.cpp

@@ -12,10 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_halffull_newtoff.h"
-#include "neigh_list.h"
-#include "atom_vec.h"
-#include "my_page.h"
+
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_halffull_newton.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_halffull_newton.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_skip.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_skip.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_skip_respa.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_skip_respa.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_skip_size.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_skip_size.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_skip_size_off2on.cpp

@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_skip_size_off2on.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/npair_skip_size_off2on_oneside.cpp

@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_skip_size_off2on_oneside.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
 #include "domain.h"
-#include "my_page.h"
 #include "error.h"
+#include "my_page.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 

src/output.cpp

@@ -14,18 +14,15 @@
 #include "output.h"
 #include "style_dump.h"         // IWYU pragma: keep
 
-#include "atom.h"
 #include "comm.h"
 #include "domain.h"
 #include "dump.h"
 #include "error.h"
-#include "force.h"
 #include "group.h"
 #include "info.h"
 #include "input.h"
 #include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "thermo.h"
 #include "update.h"
 #include "variable.h"

src/pair_lj96_cut.cpp

@@ -17,20 +17,19 @@
 
 #include "pair_lj96_cut.h"
 
-#include <cmath>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "update.h"
-#include "respa.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "respa.h"
+#include "update.h"
 
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/pair_lj_relres.cpp

@@ -26,7 +26,6 @@
 #include "memory.h"
 
 #include <cmath>
-#include <cstdlib>
 
 using namespace LAMMPS_NS;
 

src/reader.cpp

@@ -15,8 +15,6 @@
 
 #include "error.h"
 
-#include <cstring>
-
 using namespace LAMMPS_NS;
 
 // only proc 0 calls methods of this class, except for constructor/destructor

src/region_sphere.cpp

@@ -19,7 +19,6 @@
 #include "variable.h"
 
 #include <cmath>
-#include <cstring>
 
 using namespace LAMMPS_NS;
 

src/tokenizer.cpp

@@ -19,7 +19,6 @@
 #include "utils.h"
 #include "fmt/format.h"
 
-#include <exception>
 #include <utility>
 
 using namespace LAMMPS_NS;

src/universe.cpp

@@ -15,9 +15,7 @@
 
 #include "error.h"
 #include "memory.h"
-#include "version.h"
 
-#include <cctype>
 #include <cstring>
 
 using namespace LAMMPS_NS;

src/variable.cpp

@@ -40,7 +40,6 @@
 #include <cstring>
 #include <unistd.h>
 #include <unordered_map>
-#include <vector>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/write_coeff.cpp

@@ -22,7 +22,6 @@
 #include "force.h"
 #include "improper.h"
 #include "pair.h"
-#include "universe.h"
 
 #include <cctype>
 #include <cstring>

src/write_data.cpp

@@ -29,7 +29,6 @@
 #include "output.h"
 #include "pair.h"
 #include "thermo.h"
-#include "universe.h"
 #include "update.h"
 
 #include <cstring>

src/write_restart.cpp

@@ -32,7 +32,6 @@
 #include "output.h"
 #include "pair.h"
 #include "thermo.h"
-#include "universe.h"
 #include "update.h"
 
 #include <cstring>