continuing to clean up include file lists

src/pair_lj_cut_coul_wolf.cpp

@@ -16,18 +16,13 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_wolf.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
-#include "update.h"
-#include "integrate.h"
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"

src/pair_lj_expand.cpp

@@ -12,9 +12,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_expand.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"

src/pair_lj_gromacs.cpp

@@ -16,14 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_gromacs.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"

src/pair_lj_gromacs_coul_gromacs.cpp

@@ -16,10 +16,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_gromacs_coul_gromacs.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_lj_smooth.cpp

@@ -16,9 +16,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_smooth.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_lj_smooth_linear.cpp

@@ -16,9 +16,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_smooth_linear.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"

src/pair_mie_cut.cpp

@@ -16,9 +16,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_mie_cut.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -27,7 +26,6 @@
 #include "neigh_list.h"
 #include "neigh_request.h"
 #include "update.h"
-#include "integrate.h"
 #include "respa.h"
 #include "math_const.h"
 #include "memory.h"

src/pair_morse.cpp

@@ -12,9 +12,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_morse.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"

src/pair_soft.cpp

@@ -12,14 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_soft.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "update.h"
 #include "neigh_list.h"
 #include "math_const.h"
 #include "memory.h"

src/pair_table.cpp

@@ -20,6 +20,7 @@
 #include <cmath>
 #include <cstdlib>
 #include <cstring>
+#include <string>
 #include "atom.h"
 #include "force.h"
 #include "comm.h"

src/pair_ufm.cpp

@@ -18,25 +18,17 @@
  ------------------------------------------------------------------------- */
 
 #include "pair_ufm.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
-#include "update.h"
-#include "integrate.h"
-#include "respa.h"
-#include "math_const.h"
 #include "memory.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
-using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */
 

src/pair_yukawa.cpp

@@ -12,8 +12,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_yukawa.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdlib>
 #include "atom.h"
 #include "force.h"
 #include "comm.h"

src/pair_zbl.cpp

@@ -17,19 +17,10 @@
 
 #include "pair_zbl.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "atom.h"
-#include "comm.h"
 #include "force.h"
 #include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
-#include "update.h"
-#include "integrate.h"
-#include "respa.h"
-#include "math_const.h"
 #include "memory.h"
 #include "error.h"
 
@@ -37,7 +28,6 @@
 // "The Stopping and Range of Ions in Matter" volume 1, Pergamon, 1985.
 
 using namespace LAMMPS_NS;
-using namespace MathConst;
 using namespace PairZBLConstants;
 
 /* ---------------------------------------------------------------------- */

src/pair_zero.cpp

@@ -16,9 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_zero.h"
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
+#include <mpi.h>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"

src/procmap.cpp

@@ -16,7 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "procmap.h"
+#include <mpi.h>
+#include <cmath>
 #include <cstring>
+#include <map>
+#include <string>
+#include <utility>
 #include "universe.h"
 #include "comm.h"
 #include "domain.h"
@@ -24,9 +29,6 @@
 #include "memory.h"
 #include "error.h"
 
-#include <map>
-#include <string>
-
 using namespace LAMMPS_NS;
 
 #define MAXLINE 128

src/rcb.cpp

@@ -16,7 +16,6 @@
 #include <cstring>
 #include "irregular.h"
 #include "memory.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 

src/read_data.cpp

@@ -16,18 +16,14 @@
 //   before lmptype.h can set flags to insure it is done correctly
 
 #include "read_data.h"
-#include "lmptype.h"
 #include <mpi.h>
-#include <cmath>
 #include <cstring>
-#include <cstdlib>
 #include <cctype>
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_ellipsoid.h"
 #include "atom_vec_line.h"
 #include "atom_vec_tri.h"
-#include "force.h"
 #include "molecule.h"
 #include "group.h"
 #include "comm.h"

src/read_dump.cpp

@@ -20,24 +20,18 @@
 //   before lmptype.h can set flags to insure it is done correctly
 
 #include "read_dump.h"
-#include "lmptype.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdlib>
+#include <string>
 #include "reader.h"
 #include "style_reader.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "update.h"
-#include "modify.h"
-#include "fix.h"
-#include "compute.h"
 #include "domain.h"
 #include "comm.h"
 #include "force.h"
 #include "irregular.h"
-#include "input.h"
-#include "variable.h"
 #include "error.h"
 #include "memory.h"
 #include "utils.h"

src/read_restart.cpp

@@ -14,7 +14,6 @@
 #include "read_restart.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdlib>
 #include <dirent.h>
 #include "atom.h"
 #include "atom_vec.h"
@@ -23,7 +22,6 @@
 #include "irregular.h"
 #include "update.h"
 #include "modify.h"
-#include "fix.h"
 #include "fix_read_restart.h"
 #include "group.h"
 #include "force.h"

src/reader.cpp

@@ -12,7 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "reader.h"
-#include <cstdio>
 #include <cstring>
 #include "error.h"
 

src/reader_xyz.cpp

@@ -16,9 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "reader_xyz.h"
-#include <cstring>
 #include <cstdlib>
-#include "atom.h"
 #include "memory.h"
 #include "error.h"
 #include "force.h"

src/region.cpp

@@ -13,7 +13,6 @@
 
 #include "region.h"
 #include <cmath>
-#include <cstdlib>
 #include <cstring>
 #include "update.h"
 #include "domain.h"

src/region_block.cpp

@@ -12,7 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "region_block.h"
-#include <cstdlib>
 #include <cstring>
 #include "force.h"
 #include "domain.h"

src/region_cone.cpp

@@ -17,7 +17,6 @@
 
 #include "region_cone.h"
 #include <cmath>
-#include <cstdlib>
 #include <cstring>
 #include "domain.h"
 #include "error.h"

src/region_cylinder.cpp

@@ -13,7 +13,6 @@
 
 #include "region_cylinder.h"
 #include <cmath>
-#include <cstdlib>
 #include <cstring>
 #include "update.h"
 #include "domain.h"

src/region_intersect.cpp

@@ -12,7 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "region_intersect.h"
-#include <cstdlib>
 #include <cstring>
 #include "domain.h"
 #include "error.h"

src/region_plane.cpp

@@ -13,8 +13,6 @@
 
 #include "region_plane.h"
 #include <cmath>
-#include <cstdlib>
-#include <cstring>
 #include "error.h"
 #include "force.h"
 

src/region_prism.cpp

@@ -16,8 +16,6 @@
 ------------------------------------------------------------------------- */
 
 #include "region_prism.h"
-#include <cmath>
-#include <cstdlib>
 #include <cstring>
 #include "domain.h"
 #include "force.h"

src/region_sphere.cpp

@@ -13,7 +13,6 @@
 
 #include "region_sphere.h"
 #include <cmath>
-#include <cstdlib>
 #include <cstring>
 #include "update.h"
 #include "input.h"

src/region_union.cpp

@@ -12,7 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "region_union.h"
-#include <cstdlib>
 #include <cstring>
 #include "domain.h"
 #include "error.h"

src/replicate.cpp

@@ -12,11 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "replicate.h"
-#include <cstdlib>
+#include <mpi.h>
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
-#include "atom_vec_hybrid.h"
 #include "force.h"
 #include "domain.h"
 #include "comm.h"

src/rerun.cpp

@@ -12,7 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "rerun.h"
-#include <cstdlib>
 #include <cstring>
 #include "read_dump.h"
 #include "domain.h"

src/reset_ids.cpp

@@ -12,6 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "reset_ids.h"
+#include <mpi.h>
 #include "atom.h"
 #include "atom_vec.h"
 #include "domain.h"

src/respa.cpp

@@ -16,13 +16,13 @@
 ------------------------------------------------------------------------- */
 
 #include "respa.h"
-#include <cstdlib>
 #include <cstring>
 #include "neighbor.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "domain.h"
 #include "comm.h"
+#include "fix.h"
 #include "force.h"
 #include "pair.h"
 #include "bond.h"
@@ -33,10 +33,8 @@
 #include "output.h"
 #include "update.h"
 #include "modify.h"
-#include "compute.h"
 #include "fix_respa.h"
 #include "timer.h"
-#include "memory.h"
 #include "error.h"
 #include "utils.h"
 #include "pair_hybrid.h"

src/run.cpp

@@ -12,7 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "run.h"
-#include <cstdlib>
 #include <cstring>
 #include "domain.h"
 #include "update.h"

src/set.cpp

@@ -14,8 +14,8 @@
 #include "set.h"
 #include <mpi.h>
 #include <cmath>
-#include <cstdlib>
 #include <cstring>
+#include <climits>
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_ellipsoid.h"
@@ -26,9 +26,7 @@
 #include "region.h"
 #include "group.h"
 #include "comm.h"
-#include "neighbor.h"
 #include "force.h"
-#include "pair.h"
 #include "input.h"
 #include "variable.h"
 #include "random_park.h"

src/special.cpp

@@ -13,7 +13,6 @@
 
 #include "special.h"
 #include <mpi.h>
-#include <cstdio>
 #include "atom.h"
 #include "atom_vec.h"
 #include "force.h"
@@ -23,7 +22,6 @@
 #include "accelerator_kokkos.h"
 #include "atom_masks.h"
 #include "memory.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 

src/thermo.cpp

@@ -16,10 +16,8 @@
 //   before lmptype.h can set flags to insure it is done correctly
 
 #include "thermo.h"
-#include "lmptype.h"
 #include <mpi.h>
 #include <cmath>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "update.h"
@@ -43,11 +41,8 @@
 #include "kspace.h"
 #include "output.h"
 #include "timer.h"
-#include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "universe.h"
-
 #include "math_const.h"
 
 using namespace LAMMPS_NS;

src/thermo.h

@@ -18,9 +18,6 @@
 
 namespace LAMMPS_NS {
 
-class DumpNetCDF;
-class DumpNetCDFMPIIO;
-
 class Thermo : protected Pointers {
   friend class MinCG;                  // accesses compute_pe
   friend class DumpNetCDF;             // accesses thermo properties