git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/ASPHERE/fix_nh_asphere.cpp

@@ -27,6 +27,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/ASPHERE/fix_nph_asphere.cpp

@@ -17,6 +17,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/ASPHERE/fix_npt_asphere.cpp

@@ -17,6 +17,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/ASPHERE/fix_nve_asphere.cpp

@@ -28,6 +28,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define INERTIA 0.2          // moment of inertia prefactor for ellipsoid
 

src/ASPHERE/fix_nve_asphere_noforce.cpp

@@ -24,6 +24,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/ASPHERE/fix_nve_line.cpp

@@ -22,6 +22,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 #define INERTIA (1.0/12.0)     // moment of inertia prefactor for line segment

src/ASPHERE/fix_nve_tri.cpp

@@ -22,6 +22,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/ASPHERE/fix_nvt_asphere.cpp

@@ -18,6 +18,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/COLLOID/fix_wall_colloid.cpp

@@ -25,6 +25,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/GPU/fix_gpu.cpp

@@ -28,6 +28,7 @@
 #include "neighbor.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH};
 

src/GRANULAR/fix_freeze.cpp

@@ -21,6 +21,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/GRANULAR/fix_pour.cpp

@@ -32,6 +32,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 #define EPSILON 0.001

src/GRANULAR/fix_wall_gran.cpp

@@ -31,6 +31,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 enum{XPLANE,YPLANE,ZPLANE,ZCYLINDER};    // XYZ PLANE need to be 0,1,2

src/MANYBODY/fix_qeq_comb.cpp

@@ -31,6 +31,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/MC/fix_bond_break.cpp

@@ -28,6 +28,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/MC/fix_bond_create.cpp

@@ -30,6 +30,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define BIG 1.0e20
 

src/MC/fix_bond_swap.cpp

@@ -35,6 +35,7 @@
 #include "update.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/MC/fix_gcmc.cpp

@@ -35,6 +35,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */

src/PERI/fix_peri_neigh.cpp

@@ -33,6 +33,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/POEMS/fix_poems.cpp

@@ -37,6 +37,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define MAXBODY 2         // currently 2 since only linear chains allowed
 #define DELTA 128

src/REAX/fix_reax_bonds.cpp

@@ -31,6 +31,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/REPLICA/fix_event.cpp

@@ -28,6 +28,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/REPLICA/fix_event_prd.cpp

@@ -29,6 +29,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/REPLICA/fix_event_tad.cpp

@@ -29,6 +29,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/REPLICA/fix_neb.cpp

@@ -26,6 +26,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/SHOCK/fix_append_atoms.cpp

@@ -27,6 +27,7 @@
 #include "force.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define BIG      1.0e30
 #define EPSILON  1.0e-6

src/SHOCK/fix_msst.cpp

@@ -35,6 +35,7 @@
 #include "thermo.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/SHOCK/fix_nphug.cpp

@@ -27,6 +27,7 @@
 #include "math.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{ISO,ANISO,TRICLINIC}; // same as fix_nh.cpp
 

src/SHOCK/fix_wall_piston.cpp

@@ -27,6 +27,7 @@
 #include "math_const.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 /* ---------------------------------------------------------------------- */

src/SRD/fix_srd.cpp

@@ -41,6 +41,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 enum{SLIP,NOSLIP};

src/SRD/fix_wall_srd.cpp

@@ -27,6 +27,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{XLO,XHI,YLO,YHI,ZLO,ZHI};
 enum{NONE,EDGE,CONSTANT,VARIABLE};

src/USER-ATC/fix_atc.cpp

@@ -34,6 +34,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS; 
+using namespace FixConst;
 
 // main page of doxygen documentation
 /*! \mainpage AtC : Atom-to-Continuum methods

src/USER-AWPMD/fix_nve_awpmd.cpp

@@ -29,6 +29,7 @@
 #include "TCP/wpmd_split.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/cuda_modify_flags.h

@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+/* -*- c++ -*- ----------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator 
 
    Original Version:
@@ -24,16 +24,22 @@
 #ifndef CUDA_MODIFY_FLAGS_H
 #define CUDA_MODIFY_FLAGS_H
 
-#define INITIAL_INTEGRATE_CUDA  (1 << 16)
-#define POST_INTEGRATE_CUDA     (1 << 17)
-#define PRE_EXCHANGE_CUDA       (1 << 18)
-#define PRE_NEIGHBOR_CUDA       (1 << 19)
-#define PRE_FORCE_CUDA          (1 << 20)
-#define POST_FORCE_CUDA         (1 << 21)
-#define FINAL_INTEGRATE_CUDA    (1 << 22)
-#define END_OF_STEP_CUDA        (1 << 23)
-#define THERMO_ENERGY_CUDA      (1 << 24)
-#define MIN_POST_FORCE_CUDA      (1 << 25)
+#include "fix.h"
+
+namespace LAMMPS_NS {
+namespace FixConstCuda {
+  static const int INITIAL_INTEGRATE_CUDA = FixConst::FIX_CONST_LAST << 0;
+  static const int POST_INTEGRATE_CUDA    = FixConst::FIX_CONST_LAST << 1;
+  static const int PRE_EXCHANGE_CUDA      = FixConst::FIX_CONST_LAST << 2;
+  static const int PRE_NEIGHBOR_CUDA      = FixConst::FIX_CONST_LAST << 3;
+  static const int PRE_FORCE_CUDA         = FixConst::FIX_CONST_LAST << 4;
+  static const int POST_FORCE_CUDA        = FixConst::FIX_CONST_LAST << 5;
+  static const int FINAL_INTEGRATE_CUDA   = FixConst::FIX_CONST_LAST << 6;
+  static const int END_OF_STEP_CUDA       = FixConst::FIX_CONST_LAST << 7;
+  static const int THERMO_ENERGY_CUDA     = FixConst::FIX_CONST_LAST << 8;
+  static const int MIN_POST_FORCE_CUDA    = FixConst::FIX_CONST_LAST << 9;
+}
+}
 // remember not to shift over 31 bits
 
 #endif // CUDA_MODIFY_FLAGS_H

src/USER-CUDA/fix_addforce_cuda.cpp

@@ -37,6 +37,8 @@
 
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_aveforce_cuda.cpp

@@ -36,6 +36,8 @@
 #include "cuda_modify_flags.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_enforce2d_cuda.cpp

@@ -46,6 +46,8 @@
 #include "cuda_modify_flags.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_freeze_cuda.cpp

@@ -35,6 +35,8 @@
 
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_gravity_cuda.cpp

@@ -36,6 +36,8 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 using namespace MathConst;
 
 enum{CHUTE,SPHERICAL,GRADIENT,VECTOR};

src/USER-CUDA/fix_nh_cuda.cpp

@@ -37,6 +37,8 @@
 #include "cuda_modify_flags.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 enum{NOBIAS,BIAS};
 enum{NONE,XYZ,XY,YZ,XZ};

src/USER-CUDA/fix_npt_cuda.cpp

@@ -16,7 +16,15 @@
 #include "modify.h"
 #include "error.h"
 
+#include "cuda_modify_flags.h"
+
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
+using namespace FixConst;
+using namespace FixConstCuda;
+using namespace FixConstCuda;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_nve_cuda.cpp

@@ -47,6 +47,8 @@
 #include "cuda_modify_flags.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_nvt_cuda.cpp

@@ -17,7 +17,15 @@
 #include "modify.h"
 #include "error.h"
 
+#include "cuda_modify_flags.h"
+
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
+using namespace FixConst;
+using namespace FixConstCuda;
+using namespace FixConstCuda;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_set_force_cuda.cpp

@@ -34,6 +34,8 @@
 
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/fix_shake_cuda.cpp

@@ -37,6 +37,8 @@
 #include "math_const.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 using namespace MathConst;
 
 #define BIG 1.0e20

src/USER-CUDA/fix_temp_berendsen_cuda.cpp

@@ -51,6 +51,8 @@
 #include "cuda_modify_flags.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 enum{NOBIAS,BIAS};
 

src/USER-CUDA/fix_temp_rescale_cuda.cpp

@@ -40,6 +40,8 @@
 #include "cuda_modify_flags.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 enum{NOBIAS,BIAS};
 

src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp

@@ -40,6 +40,8 @@
 #include "cuda_modify_flags.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 enum{NOBIAS,BIAS};
 

src/USER-CUDA/fix_viscous_cuda.cpp

@@ -34,6 +34,8 @@
 #include "cuda.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-CUDA/modify_cuda.cpp

@@ -27,34 +27,17 @@
 #include "memory.h"
 #include "error.h"
 
+#include "cuda_modify_flags.h"
+
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConstCuda;
 
 #define DELTA 4
 
-// mask settings - same as in fix.cpp
-
-#define INITIAL_INTEGRATE   1
-#define POST_INTEGRATE      2
-#define PRE_EXCHANGE        4
-#define PRE_NEIGHBOR        8
-#define PRE_FORCE          16
-#define POST_FORCE         32
-#define FINAL_INTEGRATE    64
-#define END_OF_STEP       128
-#define THERMO_ENERGY     256
-#define INITIAL_INTEGRATE_RESPA   512
-#define POST_INTEGRATE_RESPA     1024
-#define PRE_FORCE_RESPA          2048
-#define POST_FORCE_RESPA         4096
-#define FINAL_INTEGRATE_RESPA    8192
-#define MIN_PRE_EXCHANGE        16384
-#define MIN_POST_FORCE          32768
-#define MIN_ENERGY              65536
-
-#include "cuda_modify_flags.h"
-
 #define BIG 1.0e20
 
+
 /* ---------------------------------------------------------------------- */
 
 ModifyCuda::ModifyCuda(LAMMPS *lmp) : Modify(lmp)
@@ -318,6 +301,20 @@ void ModifyCuda::pre_neighbor()
    pre_force call, only for relevant fixes
 ------------------------------------------------------------------------- */
 
+void ModifyCuda::setup_pre_force(int vflag)
+{
+	for(int i = 0; i < n_pre_force_cuda; i++)
+		fix[list_pre_force_cuda[i]]->pre_force(vflag);
+
+	if(n_pre_force_host != 0)
+	{
+		cuda->downloadAll(); cuda->oncpu = true;
+		for (int i = 0; i < n_pre_force_host; i++)
+			fix[list_pre_force[i]]->pre_force(vflag);
+		cuda->uploadAll(); cuda->oncpu = false;
+	}
+}
+
 void ModifyCuda::pre_force(int vflag)
 {
 	for(int i = 0; i < n_pre_force_cuda; i++)

src/USER-CUDA/modify_cuda.h

@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+/* -*- c++ -*- ----------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
@@ -50,6 +50,7 @@ class ModifyCuda : public Modify {
   //void pre_decide();
   void pre_exchange();
   void pre_neighbor();
+  void setup_pre_force(int);
   void pre_force(int);
   void post_force(int);
   void final_integrate();

src/USER-EFF/fix_langevin_eff.cpp

@@ -38,6 +38,7 @@
 #include "group.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NOBIAS,BIAS};
 enum{CONSTANT,EQUAL,ATOM};

src/USER-EFF/fix_nh_eff.cpp

@@ -24,6 +24,7 @@
 #include "domain.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NOBIAS,BIAS};
 

src/USER-EFF/fix_nph_eff.cpp

@@ -17,6 +17,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-EFF/fix_npt_eff.cpp

@@ -17,6 +17,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-EFF/fix_nve_eff.cpp

@@ -28,6 +28,7 @@
 #include "domain.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-EFF/fix_nvt_eff.cpp

@@ -19,6 +19,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-EFF/fix_nvt_sllod_eff.cpp

@@ -24,6 +24,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NO_REMAP,X_REMAP,V_REMAP};                   // same as fix_deform.cpp
 

src/USER-EFF/fix_temp_rescale_eff.cpp

@@ -31,6 +31,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NOBIAS,BIAS};
 

src/USER-MISC/fix_addtorque.cpp

@@ -31,6 +31,7 @@
 #include "force.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NONE,CONSTANT,EQUAL,ATOM};
 

src/USER-MISC/fix_imd.cpp

@@ -429,6 +429,7 @@ static void  imdsock_destroy(void *);
  ***************************************************************/
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* struct for packed data communication of coordinates and forces. */
 struct commdata { 

src/USER-MISC/fix_smd.cpp

@@ -29,6 +29,7 @@
 #include "group.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum { SMD_NONE=0, 
        SMD_TETHER=1<<0, SMD_COUPLE=1<<1, 

src/USER-OMP/fix_gravity_omp.cpp

@@ -27,6 +27,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{CHUTE,SPHERICAL,GRADIENT,VECTOR};
 

src/USER-OMP/fix_nve_sphere_omp.cpp

@@ -23,6 +23,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define INERTIA 0.4          // moment of inertia prefactor for sphere
 

src/USER-OMP/fix_omp.cpp

@@ -40,7 +40,16 @@
 #include <stdlib.h>
 #include <stdio.h>
 
+#if defined(LMP_USER_CUDA)
+#include "cuda_modify_flags.h"
+#endif
+
 using namespace LAMMPS_NS;
+using namespace FixConst;
+using namespace FixConst;
+#if defined(LMP_USER_CUDA)
+using namespace FixConstCuda;
+#endif
 
 static int get_tid()
 {
@@ -156,6 +165,18 @@ FixOMP::~FixOMP()
 
 int FixOMP::setmask()
 {
+  // compatibility with USER-CUDA
+  // our fix doesn't need any data transfer.
+#if defined(LMP_USER_CUDA)
+  if (lmp->cuda) {
+    int mask = 0;
+    mask |= PRE_FORCE_CUDA;
+    mask |= PRE_FORCE_RESPA;
+    mask |= MIN_PRE_FORCE;
+    return mask;
+  }
+#endif
+
   int mask = 0;
   mask |= PRE_FORCE;
   mask |= PRE_FORCE_RESPA;

src/USER-OMP/fix_peri_neigh_omp.cpp

@@ -22,6 +22,7 @@
 #include "neigh_request.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-OMP/fix_qeq_comb_omp.cpp

@@ -31,6 +31,7 @@
 #include <string.h>
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-OMP/fix_shear_history_omp.cpp

@@ -29,6 +29,7 @@
 #endif
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define MAXTOUCH 15
 

src/USER-OMP/fix_wall_gran_omp.cpp

@@ -21,6 +21,7 @@
 #include "update.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 
 enum{XPLANE,YPLANE,ZPLANE,ZCYLINDER};    // XYZ PLANE need to be 0,1,2

src/USER-REAXC/fix_qeq_reax.cpp

@@ -40,6 +40,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define EV_TO_KCAL_PER_MOL 14.4
 #define SAFE_ZONE       1.2

src/USER-REAXC/fix_reax_c.cpp

@@ -28,6 +28,7 @@
 #include "memory.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define MAX_REAX_BONDS      30
 #define MIN_REAX_BONDS      15

src/USER-REAXC/fix_reaxc_bonds.cpp

@@ -31,6 +31,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-SPH/fix_meso.cpp

@@ -31,6 +31,7 @@
 #include "pair.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/USER-SPH/fix_meso_stationary.cpp

@@ -31,6 +31,7 @@
 #include "pair.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix.cpp

@@ -20,6 +20,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 
@@ -67,28 +68,6 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
   maxvatom = 0;
   vatom = NULL;
-
-  // mask settings - same as in modify.cpp
-
-  INITIAL_INTEGRATE = 1;
-  POST_INTEGRATE = 2;
-  PRE_EXCHANGE = 4;
-  PRE_NEIGHBOR = 8;
-  PRE_FORCE = 16;
-  POST_FORCE = 32;
-  FINAL_INTEGRATE = 64;
-  END_OF_STEP = 128;
-  THERMO_ENERGY = 256;
-  INITIAL_INTEGRATE_RESPA = 512;
-  POST_INTEGRATE_RESPA = 1024;
-  PRE_FORCE_RESPA = 2048;
-  POST_FORCE_RESPA = 4096;
-  FINAL_INTEGRATE_RESPA = 8192;
-  MIN_PRE_EXCHANGE = 16384;
-  MIN_PRE_FORCE = 32768;
-  MIN_POST_FORCE = 65536;
-  MIN_ENERGY = 131072;
-  POST_RUN = 262144;
 }
 
 /* ---------------------------------------------------------------------- */

src/fix.h

@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+/* -*- c++ -*- ----------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
@@ -76,14 +76,6 @@ class Fix : protected Pointers {
   double virial[6];              // accumlated virial
   double **vatom;                // accumulated per-atom virial
 
-  int INITIAL_INTEGRATE,POST_INTEGRATE;    // mask settings
-  int PRE_EXCHANGE,PRE_NEIGHBOR;
-  int PRE_FORCE,POST_FORCE,FINAL_INTEGRATE,END_OF_STEP,THERMO_ENERGY;
-  int INITIAL_INTEGRATE_RESPA,POST_INTEGRATE_RESPA;
-  int PRE_FORCE_RESPA,POST_FORCE_RESPA,FINAL_INTEGRATE_RESPA;
-  int MIN_PRE_EXCHANGE,MIN_PRE_FORCE,MIN_POST_FORCE,MIN_ENERGY;
-  int POST_RUN;
-
   Fix(class LAMMPS *, int, char **);
   virtual ~Fix();
   void modify_params(int, char **);
@@ -167,6 +159,29 @@ class Fix : protected Pointers {
   void v_tally(int, int *, double, double *);
 };
 
+namespace FixConst {
+  static const int INITIAL_INTEGRATE =       1<<0;
+  static const int POST_INTEGRATE =          1<<1;
+  static const int PRE_EXCHANGE =            1<<2;
+  static const int PRE_NEIGHBOR =            1<<3;
+  static const int PRE_FORCE =               1<<4;
+  static const int POST_FORCE =              1<<5;
+  static const int FINAL_INTEGRATE =         1<<6;
+  static const int END_OF_STEP =             1<<7;
+  static const int THERMO_ENERGY =           1<<8;
+  static const int INITIAL_INTEGRATE_RESPA = 1<<9;
+  static const int POST_INTEGRATE_RESPA =    1<<10;
+  static const int PRE_FORCE_RESPA =         1<<11;
+  static const int POST_FORCE_RESPA =        1<<12;
+  static const int FINAL_INTEGRATE_RESPA =   1<<13;
+  static const int MIN_PRE_EXCHANGE =        1<<14;
+  static const int MIN_PRE_FORCE =           1<<15;
+  static const int MIN_POST_FORCE =          1<<16;
+  static const int MIN_ENERGY =              1<<17;
+  static const int POST_RUN =                1<<18;
+  static const int FIX_CONST_LAST =          1<<19;
+}
+
 }
 
 #endif

src/fix_adapt.cpp

@@ -29,6 +29,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 enum{PAIR,KSPACE,ATOM};

src/fix_addforce.cpp

@@ -26,6 +26,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NONE,CONSTANT,EQUAL,ATOM};
 

src/fix_ave_atom.cpp

@@ -26,6 +26,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{X,V,F,COMPUTE,FIX,VARIABLE};
 

src/fix_ave_correlate.cpp

@@ -30,6 +30,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{COMPUTE,FIX,VARIABLE};
 enum{ONE,RUNNING};

src/fix_ave_histo.cpp

@@ -26,6 +26,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{X,V,F,COMPUTE,FIX,VARIABLE};
 enum{ONE,RUNNING};

src/fix_ave_spatial.cpp

@@ -33,6 +33,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{LOWER,CENTER,UPPER,COORD};
 enum{V,F,DENSITY_NUMBER,DENSITY_MASS,COMPUTE,FIX,VARIABLE};

src/fix_ave_time.cpp

@@ -29,6 +29,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{COMPUTE,FIX,VARIABLE};
 enum{ONE,RUNNING,WINDOW};

src/fix_aveforce.cpp

@@ -26,6 +26,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NONE,CONSTANT,EQUAL};
 

src/fix_box_relax.cpp

@@ -31,6 +31,7 @@
 #include "math_extra.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NONE,XYZ,XY,YZ,XZ};
 enum{ISO,ANISO,TRICLINIC};

src/fix_deform.cpp

@@ -34,6 +34,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 enum{NONE,FINAL,DELTA,SCALE,VEL,ERATE,TRATE,VOLUME,WIGGLE,VARIABLE};

src/fix_deposit.cpp

@@ -30,6 +30,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_drag.cpp

@@ -22,6 +22,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_dt_reset.cpp

@@ -30,6 +30,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 #define BIG 1.0e20
 

src/fix_efield.cpp

@@ -30,6 +30,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{CONSTANT,EQUAL,ATOM};
 

src/fix_enforce2d.cpp

@@ -20,6 +20,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_evaporate.cpp

@@ -29,6 +29,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_external.cpp

@@ -20,6 +20,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_gravity.cpp

@@ -24,6 +24,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 using namespace MathConst;
 
 enum{CHUTE,SPHERICAL,GRADIENT,VECTOR};

src/fix_heat.cpp

@@ -28,6 +28,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_indent.cpp

@@ -31,6 +31,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NONE,SPHERE,CYLINDER,PLANE};
 enum{INSIDE,OUTSIDE};

src/fix_langevin.cpp

@@ -39,6 +39,7 @@
 #include "group.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 enum{NOBIAS,BIAS};
 enum{CONSTANT,EQUAL,ATOM};

src/fix_lineforce.cpp

@@ -21,6 +21,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_minimize.cpp

@@ -19,6 +19,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ---------------------------------------------------------------------- */
 

src/fix_momentum.cpp

@@ -20,6 +20,7 @@
 #include "error.h"
 
 using namespace LAMMPS_NS;
+using namespace FixConst;
 
 /* ----------------------------------------------------------------------
    Contributing author: Naveen Michaud-Agrawal (Johns Hopkins U)