clean up includes in KSPACE package

src/KSPACE/ewald.cpp

@@ -20,9 +20,6 @@
 
 #include "ewald.h"
 #include <mpi.h>
-#include <cstdlib>
-#include <cstdio>
-#include <cstring>
 #include <cmath>
 #include "atom.h"
 #include "comm.h"

src/KSPACE/ewald_dipole.cpp

@@ -17,8 +17,6 @@
 
 #include "ewald_dipole.h"
 #include <mpi.h>
-#include <cstdlib>
-#include <cstdio>
 #include <cstring>
 #include <cmath>
 #include "atom.h"
@@ -32,9 +30,6 @@
 #include "error.h"
 #include "update.h"
 
-#include "math_const.h"
-#include "math_special.h"
-
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;

src/KSPACE/ewald_dipole_spin.cpp

@@ -17,8 +17,6 @@
 
 #include "ewald_dipole_spin.h"
 #include <mpi.h>
-#include <cstdlib>
-#include <cstdio>
 #include <cstring>
 #include <cmath>
 #include "atom.h"
@@ -27,17 +25,12 @@
 #include "pair.h"
 #include "domain.h"
 #include "math_const.h"
-#include "math_special.h"
 #include "memory.h"
 #include "error.h"
 #include "update.h"
 
-#include "math_const.h"
-#include "math_special.h"
-
 using namespace LAMMPS_NS;
 using namespace MathConst;
-using namespace MathSpecial;
 
 #define SMALL 0.00001
 

src/KSPACE/ewald_disp.cpp

@@ -18,8 +18,6 @@
 #include "ewald_disp.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdio>
-#include <cstdlib>
 #include <cmath>
 #include "math_vector.h"
 #include "math_const.h"

src/KSPACE/gridcomm.cpp

@@ -13,10 +13,8 @@
 
 #include "gridcomm.h"
 #include <mpi.h>
-#include "comm.h"
 #include "kspace.h"
 #include "memory.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 

src/KSPACE/msm.cpp

@@ -18,8 +18,6 @@
 #include "msm.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdio>
-#include <cstdlib>
 #include <cmath>
 #include "atom.h"
 #include "comm.h"

src/KSPACE/msm_cg.cpp

@@ -18,8 +18,6 @@
 #include "msm_cg.h"
 #include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "gridcomm.h"
@@ -29,10 +27,7 @@
 #include "neighbor.h"
 #include "memory.h"
 
-#include "math_const.h"
-
 using namespace LAMMPS_NS;
-using namespace MathConst;
 
 #define OFFSET 16384
 #define SMALLQ 0.00001

src/KSPACE/pair_born_coul_long.cpp

@@ -17,8 +17,6 @@
 
 #include "pair_born_coul_long.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"

src/KSPACE/pair_born_coul_msm.cpp

@@ -17,21 +17,15 @@
 
 #include "pair_born_coul_msm.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
-#include "comm.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "math_const.h"
 #include "memory.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
-using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */
 

src/KSPACE/pair_coul_long.cpp

@@ -16,9 +16,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_long.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -26,9 +25,6 @@
 #include "kspace.h"
 #include "neighbor.h"
 #include "neigh_list.h"
-#include "update.h"
-#include "integrate.h"
-#include "respa.h"
 #include "memory.h"
 #include "error.h"
 

src/KSPACE/pair_coul_msm.cpp

@@ -17,18 +17,11 @@
 
 #include "pair_coul_msm.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
-#include "comm.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "update.h"
-#include "integrate.h"
-#include "respa.h"
 #include "memory.h"
 #include "error.h"
 

src/KSPACE/pair_lj_charmm_coul_long.cpp

@@ -17,15 +17,12 @@
 
 #include "pair_lj_charmm_coul_long.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "kspace.h"
 #include "update.h"
-#include "integrate.h"
 #include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/KSPACE/pair_lj_charmm_coul_msm.cpp

@@ -17,19 +17,12 @@
 
 #include "pair_lj_charmm_coul_msm.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
-#include "comm.h"
 #include "force.h"
 #include "kspace.h"
-#include "update.h"
-#include "integrate.h"
-#include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
 

src/KSPACE/pair_lj_charmmfsw_coul_long.cpp

@@ -21,16 +21,12 @@
 
 #include "pair_lj_charmmfsw_coul_long.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
-#include "update.h"
 #include "comm.h"
 #include "force.h"
 #include "kspace.h"
 #include "update.h"
-#include "integrate.h"
 #include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/KSPACE/pair_lj_cut_coul_long.cpp

@@ -17,15 +17,12 @@
 
 #include "pair_lj_cut_coul_long.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "kspace.h"
 #include "update.h"
-#include "integrate.h"
 #include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"

src/KSPACE/pair_lj_cut_coul_msm.cpp

@@ -17,25 +17,16 @@
 
 #include "pair_lj_cut_coul_msm.h"
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
-#include "comm.h"
 #include "force.h"
 #include "kspace.h"
 #include "update.h"
-#include "integrate.h"
-#include "respa.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
-#include "math_const.h"
 #include "memory.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
-using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */
 

src/KSPACE/pair_lj_cut_tip4p_long.cpp

@@ -17,9 +17,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_tip4p_long.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "angle.h"
 #include "atom.h"
@@ -27,12 +26,8 @@
 #include "comm.h"
 #include "domain.h"
 #include "force.h"
-#include "kspace.h"
-#include "update.h"
-#include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
 

src/KSPACE/pair_lj_long_coul_long.cpp

@@ -18,9 +18,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_long_coul_long.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "math_vector.h"
 #include "atom.h"
@@ -31,7 +30,6 @@
 #include "force.h"
 #include "kspace.h"
 #include "update.h"
-#include "integrate.h"
 #include "respa.h"
 #include "memory.h"
 #include "error.h"

src/KSPACE/pair_lj_long_tip4p_long.cpp

@@ -17,9 +17,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_long_tip4p_long.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "angle.h"
 #include "atom.h"
@@ -27,12 +26,8 @@
 #include "comm.h"
 #include "domain.h"
 #include "force.h"
-#include "kspace.h"
-#include "update.h"
-#include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
 

src/KSPACE/pair_tip4p_long.cpp

@@ -17,9 +17,8 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tip4p_long.h"
+#include <mpi.h>
 #include <cmath>
-#include <cstdio>
-#include <cstdlib>
 #include <cstring>
 #include "angle.h"
 #include "atom.h"
@@ -27,12 +26,8 @@
 #include "comm.h"
 #include "domain.h"
 #include "force.h"
-#include "kspace.h"
-#include "update.h"
-#include "respa.h"
 #include "neighbor.h"
 #include "neigh_list.h"
-#include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
 

src/KSPACE/pppm.cpp

@@ -21,8 +21,6 @@
 #include "pppm.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdio>
-#include <cstdlib>
 #include <cmath>
 #include "atom.h"
 #include "comm.h"

src/KSPACE/pppm_cg.cpp

@@ -18,7 +18,6 @@
 #include "pppm_cg.h"
 #include <mpi.h>
 #include <cmath>
-#include <cstdlib>
 #include <cstring>
 #include "atom.h"
 #include "gridcomm.h"
@@ -28,6 +27,7 @@
 #include "neighbor.h"
 #include "memory.h"
 #include "math_const.h"
+#include "remap.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;

src/KSPACE/pppm_dipole.cpp

@@ -18,17 +18,12 @@
 #include "pppm_dipole.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdio>
-#include <cstdlib>
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
 #include "gridcomm.h"
-#include "neighbor.h"
 #include "force.h"
 #include "pair.h"
-#include "bond.h"
-#include "angle.h"
 #include "domain.h"
 #include "fft3d_wrap.h"
 #include "remap_wrap.h"

src/KSPACE/pppm_dipole_spin.cpp

@@ -18,30 +18,20 @@
 #include "pppm_dipole_spin.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdio>
-#include <cstdlib>
-#include <cmath>
 #include "atom.h"
 #include "comm.h"
 #include "gridcomm.h"
-#include "neighbor.h"
 #include "force.h"
 #include "pair.h"
-#include "bond.h"
-#include "angle.h"
 #include "domain.h"
-#include "fft3d_wrap.h"
-#include "remap_wrap.h"
 #include "memory.h"
 #include "error.h"
 #include "update.h"
 
 #include "math_const.h"
-#include "math_special.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
-using namespace MathSpecial;
 
 #define MAXORDER 7
 #define OFFSET 16384

src/KSPACE/pppm_disp.cpp

@@ -19,8 +19,6 @@
 #include "pppm_disp.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdio>
-#include <cstdlib>
 #include <cmath>
 #include "math_const.h"
 #include "atom.h"

src/KSPACE/pppm_disp_tip4p.cpp

@@ -22,7 +22,6 @@
 #include "atom.h"
 #include "domain.h"
 #include "force.h"
-#include "memory.h"
 #include "error.h"
 #include "math_const.h"
 

src/KSPACE/pppm_stagger.cpp

@@ -18,12 +18,9 @@
 #include "pppm_stagger.h"
 #include <mpi.h>
 #include <cstring>
-#include <cstdio>
-#include <cstdlib>
 #include <cmath>
 #include "atom.h"
 #include "gridcomm.h"
-#include "force.h"
 #include "domain.h"
 #include "memory.h"
 #include "error.h"

src/KSPACE/pppm_tip4p.cpp

@@ -16,11 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "pppm_tip4p.h"
+#include <mpi.h>
 #include <cmath>
 #include "atom.h"
 #include "domain.h"
 #include "force.h"
-#include "memory.h"
 #include "error.h"
 #include "math_const.h"
 

src/KSPACE/remap.cpp

@@ -12,6 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "remap.h"
+#include <mpi.h>
 #include <cstdio>
 #include <cstdlib>