diff --git a/src/ASPHERE/fix_nh_asphere.cpp b/src/ASPHERE/fix_nh_asphere.cpp index 3d91262345..a8290924da 100644 --- a/src/ASPHERE/fix_nh_asphere.cpp +++ b/src/ASPHERE/fix_nh_asphere.cpp @@ -27,6 +27,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/ASPHERE/fix_nph_asphere.cpp b/src/ASPHERE/fix_nph_asphere.cpp index 094e0f06a6..76a3495693 100644 --- a/src/ASPHERE/fix_nph_asphere.cpp +++ b/src/ASPHERE/fix_nph_asphere.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/ASPHERE/fix_npt_asphere.cpp b/src/ASPHERE/fix_npt_asphere.cpp index 2c3c70e948..6296302e67 100755 --- a/src/ASPHERE/fix_npt_asphere.cpp +++ b/src/ASPHERE/fix_npt_asphere.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/ASPHERE/fix_nve_asphere.cpp b/src/ASPHERE/fix_nve_asphere.cpp index ac3abea6bc..6504219245 100755 --- a/src/ASPHERE/fix_nve_asphere.cpp +++ b/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 diff --git a/src/ASPHERE/fix_nve_asphere_noforce.cpp b/src/ASPHERE/fix_nve_asphere_noforce.cpp index 42793723b5..2fb8bd98ef 100644 --- a/src/ASPHERE/fix_nve_asphere_noforce.cpp +++ b/src/ASPHERE/fix_nve_asphere_noforce.cpp @@ -24,6 +24,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/ASPHERE/fix_nve_line.cpp b/src/ASPHERE/fix_nve_line.cpp index 682119c6a1..5f022db24a 100644 --- a/src/ASPHERE/fix_nve_line.cpp +++ b/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 diff --git a/src/ASPHERE/fix_nve_tri.cpp b/src/ASPHERE/fix_nve_tri.cpp index ca83afcdbb..92fc1320d0 100644 --- a/src/ASPHERE/fix_nve_tri.cpp +++ b/src/ASPHERE/fix_nve_tri.cpp @@ -22,6 +22,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/ASPHERE/fix_nvt_asphere.cpp b/src/ASPHERE/fix_nvt_asphere.cpp index 8578da033e..4ec80141c0 100755 --- a/src/ASPHERE/fix_nvt_asphere.cpp +++ b/src/ASPHERE/fix_nvt_asphere.cpp @@ -18,6 +18,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/COLLOID/fix_wall_colloid.cpp b/src/COLLOID/fix_wall_colloid.cpp index e4267358c8..33717104c2 100644 --- a/src/COLLOID/fix_wall_colloid.cpp +++ b/src/COLLOID/fix_wall_colloid.cpp @@ -25,6 +25,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/GPU/fix_gpu.cpp b/src/GPU/fix_gpu.cpp index d01d7cb3f4..c7a468cf45 100644 --- a/src/GPU/fix_gpu.cpp +++ b/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}; diff --git a/src/GRANULAR/fix_freeze.cpp b/src/GRANULAR/fix_freeze.cpp index 848574e5fe..40672035e9 100644 --- a/src/GRANULAR/fix_freeze.cpp +++ b/src/GRANULAR/fix_freeze.cpp @@ -21,6 +21,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/GRANULAR/fix_pour.cpp b/src/GRANULAR/fix_pour.cpp index fe0ce40f31..c775b16034 100644 --- a/src/GRANULAR/fix_pour.cpp +++ b/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 diff --git a/src/GRANULAR/fix_wall_gran.cpp b/src/GRANULAR/fix_wall_gran.cpp index 020425d110..10ede779e7 100644 --- a/src/GRANULAR/fix_wall_gran.cpp +++ b/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 diff --git a/src/MANYBODY/fix_qeq_comb.cpp b/src/MANYBODY/fix_qeq_comb.cpp index 7d36ee157e..f04a93bd1f 100644 --- a/src/MANYBODY/fix_qeq_comb.cpp +++ b/src/MANYBODY/fix_qeq_comb.cpp @@ -31,6 +31,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp index 888c247da7..a68c173d29 100755 --- a/src/MC/fix_bond_break.cpp +++ b/src/MC/fix_bond_break.cpp @@ -28,6 +28,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index 042ff80dbc..52f3ab045d 100755 --- a/src/MC/fix_bond_create.cpp +++ b/src/MC/fix_bond_create.cpp @@ -30,6 +30,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define BIG 1.0e20 diff --git a/src/MC/fix_bond_swap.cpp b/src/MC/fix_bond_swap.cpp index 4003e437f8..c02f3fcd3d 100644 --- a/src/MC/fix_bond_swap.cpp +++ b/src/MC/fix_bond_swap.cpp @@ -35,6 +35,7 @@ #include "update.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp index 9c8654100d..bc450dbacc 100644 --- a/src/MC/fix_gcmc.cpp +++ b/src/MC/fix_gcmc.cpp @@ -35,6 +35,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; using namespace MathConst; /* ---------------------------------------------------------------------- */ diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp index eb7d8c8539..5a504b7330 100644 --- a/src/PERI/fix_peri_neigh.cpp +++ b/src/PERI/fix_peri_neigh.cpp @@ -33,6 +33,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp index f783528c0b..c718f72c05 100644 --- a/src/POEMS/fix_poems.cpp +++ b/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 diff --git a/src/REAX/fix_reax_bonds.cpp b/src/REAX/fix_reax_bonds.cpp index ddd5b5eaa3..5f1c6d60d5 100644 --- a/src/REAX/fix_reax_bonds.cpp +++ b/src/REAX/fix_reax_bonds.cpp @@ -31,6 +31,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/REPLICA/fix_event.cpp b/src/REPLICA/fix_event.cpp index 1277135502..700b9e3341 100644 --- a/src/REPLICA/fix_event.cpp +++ b/src/REPLICA/fix_event.cpp @@ -28,6 +28,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/REPLICA/fix_event_prd.cpp b/src/REPLICA/fix_event_prd.cpp index 84dedd18fd..e86f259721 100644 --- a/src/REPLICA/fix_event_prd.cpp +++ b/src/REPLICA/fix_event_prd.cpp @@ -29,6 +29,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/REPLICA/fix_event_tad.cpp b/src/REPLICA/fix_event_tad.cpp index 7574b4873f..e1b4d10cca 100644 --- a/src/REPLICA/fix_event_tad.cpp +++ b/src/REPLICA/fix_event_tad.cpp @@ -29,6 +29,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index d244ea7a8e..73116fac25 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -26,6 +26,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/SHOCK/fix_append_atoms.cpp b/src/SHOCK/fix_append_atoms.cpp index 4a87d616f6..b77067b939 100644 --- a/src/SHOCK/fix_append_atoms.cpp +++ b/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 diff --git a/src/SHOCK/fix_msst.cpp b/src/SHOCK/fix_msst.cpp index 267989f309..04d207880d 100644 --- a/src/SHOCK/fix_msst.cpp +++ b/src/SHOCK/fix_msst.cpp @@ -35,6 +35,7 @@ #include "thermo.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/SHOCK/fix_nphug.cpp b/src/SHOCK/fix_nphug.cpp index 32230940d5..746498915b 100644 --- a/src/SHOCK/fix_nphug.cpp +++ b/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 diff --git a/src/SHOCK/fix_wall_piston.cpp b/src/SHOCK/fix_wall_piston.cpp index 3b66583715..f9fc94c020 100644 --- a/src/SHOCK/fix_wall_piston.cpp +++ b/src/SHOCK/fix_wall_piston.cpp @@ -27,6 +27,7 @@ #include "math_const.h" using namespace LAMMPS_NS; +using namespace FixConst; using namespace MathConst; /* ---------------------------------------------------------------------- */ diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp index b673b9b7b5..d18f2bab9b 100644 --- a/src/SRD/fix_srd.cpp +++ b/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}; diff --git a/src/SRD/fix_wall_srd.cpp b/src/SRD/fix_wall_srd.cpp index fe38da8b4e..50b3965c11 100644 --- a/src/SRD/fix_wall_srd.cpp +++ b/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}; diff --git a/src/USER-ATC/fix_atc.cpp b/src/USER-ATC/fix_atc.cpp index dde062dc40..62e4979216 100644 --- a/src/USER-ATC/fix_atc.cpp +++ b/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 diff --git a/src/USER-AWPMD/fix_nve_awpmd.cpp b/src/USER-AWPMD/fix_nve_awpmd.cpp index 5aee8958ae..8fbf2fa8a5 100644 --- a/src/USER-AWPMD/fix_nve_awpmd.cpp +++ b/src/USER-AWPMD/fix_nve_awpmd.cpp @@ -29,6 +29,7 @@ #include "TCP/wpmd_split.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/cuda_modify_flags.h b/src/USER-CUDA/cuda_modify_flags.h index f604cb5da3..8863fe60d4 100644 --- a/src/USER-CUDA/cuda_modify_flags.h +++ b/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 diff --git a/src/USER-CUDA/fix_addforce_cuda.cpp b/src/USER-CUDA/fix_addforce_cuda.cpp index 218110acf7..4b8d3fc03e 100644 --- a/src/USER-CUDA/fix_addforce_cuda.cpp +++ b/src/USER-CUDA/fix_addforce_cuda.cpp @@ -37,6 +37,8 @@ using namespace LAMMPS_NS; +using namespace FixConst; +using namespace FixConstCuda; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_aveforce_cuda.cpp b/src/USER-CUDA/fix_aveforce_cuda.cpp index 3a80fc1b3c..c2fcaa98f2 100644 --- a/src/USER-CUDA/fix_aveforce_cuda.cpp +++ b/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; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_enforce2d_cuda.cpp b/src/USER-CUDA/fix_enforce2d_cuda.cpp index d660814f2d..3cf64a2f3c 100644 --- a/src/USER-CUDA/fix_enforce2d_cuda.cpp +++ b/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; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_freeze_cuda.cpp b/src/USER-CUDA/fix_freeze_cuda.cpp index 9e8f81c5f5..818d1be560 100644 --- a/src/USER-CUDA/fix_freeze_cuda.cpp +++ b/src/USER-CUDA/fix_freeze_cuda.cpp @@ -35,6 +35,8 @@ using namespace LAMMPS_NS; +using namespace FixConst; +using namespace FixConstCuda; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_gravity_cuda.cpp b/src/USER-CUDA/fix_gravity_cuda.cpp index 36d7022fa3..091686dbc9 100644 --- a/src/USER-CUDA/fix_gravity_cuda.cpp +++ b/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}; diff --git a/src/USER-CUDA/fix_nh_cuda.cpp b/src/USER-CUDA/fix_nh_cuda.cpp index cfbd3f7888..439a921568 100644 --- a/src/USER-CUDA/fix_nh_cuda.cpp +++ b/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}; diff --git a/src/USER-CUDA/fix_npt_cuda.cpp b/src/USER-CUDA/fix_npt_cuda.cpp index dbd395cbcf..96e3ceda44 100644 --- a/src/USER-CUDA/fix_npt_cuda.cpp +++ b/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; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_nve_cuda.cpp b/src/USER-CUDA/fix_nve_cuda.cpp index f498169c3e..00ed888245 100644 --- a/src/USER-CUDA/fix_nve_cuda.cpp +++ b/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; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_nvt_cuda.cpp b/src/USER-CUDA/fix_nvt_cuda.cpp index 3d66a67e4b..6a2f3aa3be 100644 --- a/src/USER-CUDA/fix_nvt_cuda.cpp +++ b/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; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_set_force_cuda.cpp b/src/USER-CUDA/fix_set_force_cuda.cpp index e54f64d22d..4726cca0bb 100644 --- a/src/USER-CUDA/fix_set_force_cuda.cpp +++ b/src/USER-CUDA/fix_set_force_cuda.cpp @@ -34,6 +34,8 @@ using namespace LAMMPS_NS; +using namespace FixConst; +using namespace FixConstCuda; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/fix_shake_cuda.cpp b/src/USER-CUDA/fix_shake_cuda.cpp index cbcb9acaef..a1e5728157 100644 --- a/src/USER-CUDA/fix_shake_cuda.cpp +++ b/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 diff --git a/src/USER-CUDA/fix_temp_berendsen_cuda.cpp b/src/USER-CUDA/fix_temp_berendsen_cuda.cpp index 697ddbefd1..32e86809e4 100644 --- a/src/USER-CUDA/fix_temp_berendsen_cuda.cpp +++ b/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}; diff --git a/src/USER-CUDA/fix_temp_rescale_cuda.cpp b/src/USER-CUDA/fix_temp_rescale_cuda.cpp index df23ef36a4..2582631887 100644 --- a/src/USER-CUDA/fix_temp_rescale_cuda.cpp +++ b/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}; diff --git a/src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp b/src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp index 875cb391a5..6979078a4c 100644 --- a/src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp +++ b/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}; diff --git a/src/USER-CUDA/fix_viscous_cuda.cpp b/src/USER-CUDA/fix_viscous_cuda.cpp index e0f32e7b69..a85ce1b316 100644 --- a/src/USER-CUDA/fix_viscous_cuda.cpp +++ b/src/USER-CUDA/fix_viscous_cuda.cpp @@ -34,6 +34,8 @@ #include "cuda.h" using namespace LAMMPS_NS; +using namespace FixConst; +using namespace FixConstCuda; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-CUDA/modify_cuda.cpp b/src/USER-CUDA/modify_cuda.cpp index 9fd0435892..e1d0c385d8 100644 --- a/src/USER-CUDA/modify_cuda.cpp +++ b/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++) diff --git a/src/USER-CUDA/modify_cuda.h b/src/USER-CUDA/modify_cuda.h index 7d0d670f9c..12c0ca25ec 100644 --- a/src/USER-CUDA/modify_cuda.h +++ b/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(); diff --git a/src/USER-EFF/fix_langevin_eff.cpp b/src/USER-EFF/fix_langevin_eff.cpp index faff9909d1..88f38ab83a 100644 --- a/src/USER-EFF/fix_langevin_eff.cpp +++ b/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}; diff --git a/src/USER-EFF/fix_nh_eff.cpp b/src/USER-EFF/fix_nh_eff.cpp index 12bcb90760..4258a081ba 100644 --- a/src/USER-EFF/fix_nh_eff.cpp +++ b/src/USER-EFF/fix_nh_eff.cpp @@ -24,6 +24,7 @@ #include "domain.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NOBIAS,BIAS}; diff --git a/src/USER-EFF/fix_nph_eff.cpp b/src/USER-EFF/fix_nph_eff.cpp index 7cf5be647d..f75dbee35a 100644 --- a/src/USER-EFF/fix_nph_eff.cpp +++ b/src/USER-EFF/fix_nph_eff.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-EFF/fix_npt_eff.cpp b/src/USER-EFF/fix_npt_eff.cpp index 3b27e9b967..53b3ab11e2 100644 --- a/src/USER-EFF/fix_npt_eff.cpp +++ b/src/USER-EFF/fix_npt_eff.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-EFF/fix_nve_eff.cpp b/src/USER-EFF/fix_nve_eff.cpp index 9b4613df3e..6ddff5e30c 100644 --- a/src/USER-EFF/fix_nve_eff.cpp +++ b/src/USER-EFF/fix_nve_eff.cpp @@ -28,6 +28,7 @@ #include "domain.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-EFF/fix_nvt_eff.cpp b/src/USER-EFF/fix_nvt_eff.cpp index a40cd4aefa..0236f406e0 100644 --- a/src/USER-EFF/fix_nvt_eff.cpp +++ b/src/USER-EFF/fix_nvt_eff.cpp @@ -19,6 +19,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-EFF/fix_nvt_sllod_eff.cpp b/src/USER-EFF/fix_nvt_sllod_eff.cpp index 0d38c19049..adb3dd8221 100644 --- a/src/USER-EFF/fix_nvt_sllod_eff.cpp +++ b/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 diff --git a/src/USER-EFF/fix_temp_rescale_eff.cpp b/src/USER-EFF/fix_temp_rescale_eff.cpp index b6f4d585f7..8d9fce342a 100644 --- a/src/USER-EFF/fix_temp_rescale_eff.cpp +++ b/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}; diff --git a/src/USER-MISC/fix_addtorque.cpp b/src/USER-MISC/fix_addtorque.cpp index bf1a8b58aa..dd9ef8ffc4 100644 --- a/src/USER-MISC/fix_addtorque.cpp +++ b/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}; diff --git a/src/USER-MISC/fix_imd.cpp b/src/USER-MISC/fix_imd.cpp index 462883a207..4f02a6f5df 100644 --- a/src/USER-MISC/fix_imd.cpp +++ b/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 { diff --git a/src/USER-MISC/fix_smd.cpp b/src/USER-MISC/fix_smd.cpp index 836a11cd64..25d26b98e0 100644 --- a/src/USER-MISC/fix_smd.cpp +++ b/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, diff --git a/src/USER-OMP/fix_gravity_omp.cpp b/src/USER-OMP/fix_gravity_omp.cpp index c4f4b39b6c..ab39f41428 100644 --- a/src/USER-OMP/fix_gravity_omp.cpp +++ b/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}; diff --git a/src/USER-OMP/fix_nve_sphere_omp.cpp b/src/USER-OMP/fix_nve_sphere_omp.cpp index 93af055f81..6ac5afe55e 100644 --- a/src/USER-OMP/fix_nve_sphere_omp.cpp +++ b/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 diff --git a/src/USER-OMP/fix_omp.cpp b/src/USER-OMP/fix_omp.cpp index 29c577c489..58c931798c 100644 --- a/src/USER-OMP/fix_omp.cpp +++ b/src/USER-OMP/fix_omp.cpp @@ -40,7 +40,16 @@ #include #include +#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; diff --git a/src/USER-OMP/fix_peri_neigh_omp.cpp b/src/USER-OMP/fix_peri_neigh_omp.cpp index b8e07403a9..2b3780f41e 100644 --- a/src/USER-OMP/fix_peri_neigh_omp.cpp +++ b/src/USER-OMP/fix_peri_neigh_omp.cpp @@ -22,6 +22,7 @@ #include "neigh_request.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/fix_qeq_comb_omp.cpp b/src/USER-OMP/fix_qeq_comb_omp.cpp index f0a477fef6..4f975bc7d8 100644 --- a/src/USER-OMP/fix_qeq_comb_omp.cpp +++ b/src/USER-OMP/fix_qeq_comb_omp.cpp @@ -31,6 +31,7 @@ #include using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-OMP/fix_shear_history_omp.cpp b/src/USER-OMP/fix_shear_history_omp.cpp index 4655dd1af7..d539b69709 100644 --- a/src/USER-OMP/fix_shear_history_omp.cpp +++ b/src/USER-OMP/fix_shear_history_omp.cpp @@ -29,6 +29,7 @@ #endif using namespace LAMMPS_NS; +using namespace FixConst; #define MAXTOUCH 15 diff --git a/src/USER-OMP/fix_wall_gran_omp.cpp b/src/USER-OMP/fix_wall_gran_omp.cpp index 5857c921a6..5b38d41159 100644 --- a/src/USER-OMP/fix_wall_gran_omp.cpp +++ b/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 diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp index b68da226f4..91be2b2ae1 100644 --- a/src/USER-REAXC/fix_qeq_reax.cpp +++ b/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 diff --git a/src/USER-REAXC/fix_reax_c.cpp b/src/USER-REAXC/fix_reax_c.cpp index f979bef1e0..8ec7165ffd 100644 --- a/src/USER-REAXC/fix_reax_c.cpp +++ b/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 diff --git a/src/USER-REAXC/fix_reaxc_bonds.cpp b/src/USER-REAXC/fix_reaxc_bonds.cpp index 2914232851..ced11b3530 100644 --- a/src/USER-REAXC/fix_reaxc_bonds.cpp +++ b/src/USER-REAXC/fix_reaxc_bonds.cpp @@ -31,6 +31,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-SPH/fix_meso.cpp b/src/USER-SPH/fix_meso.cpp index cfab98164e..ffb69a8c80 100644 --- a/src/USER-SPH/fix_meso.cpp +++ b/src/USER-SPH/fix_meso.cpp @@ -31,6 +31,7 @@ #include "pair.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-SPH/fix_meso_stationary.cpp b/src/USER-SPH/fix_meso_stationary.cpp index 793e8dd217..f12297f072 100644 --- a/src/USER-SPH/fix_meso_stationary.cpp +++ b/src/USER-SPH/fix_meso_stationary.cpp @@ -31,6 +31,7 @@ #include "pair.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix.cpp b/src/fix.cpp index dc4263b7d1..5f19d75dca 100644 --- a/src/fix.cpp +++ b/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; } /* ---------------------------------------------------------------------- */ diff --git a/src/fix.h b/src/fix.h index 59a620be7a..f507cb5752 100644 --- a/src/fix.h +++ b/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 diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index 59af597bc3..380eb8c8e5 100644 --- a/src/fix_adapt.cpp +++ b/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}; diff --git a/src/fix_addforce.cpp b/src/fix_addforce.cpp index fee57525d8..03953b5a81 100644 --- a/src/fix_addforce.cpp +++ b/src/fix_addforce.cpp @@ -26,6 +26,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NONE,CONSTANT,EQUAL,ATOM}; diff --git a/src/fix_ave_atom.cpp b/src/fix_ave_atom.cpp index 01f21f9508..b698ee24b2 100644 --- a/src/fix_ave_atom.cpp +++ b/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}; diff --git a/src/fix_ave_correlate.cpp b/src/fix_ave_correlate.cpp index b84fc06b4d..6956965092 100644 --- a/src/fix_ave_correlate.cpp +++ b/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}; diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp index e8b499ccd4..22ce073534 100644 --- a/src/fix_ave_histo.cpp +++ b/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}; diff --git a/src/fix_ave_spatial.cpp b/src/fix_ave_spatial.cpp index 18303b6cfe..ea541fb5f3 100644 --- a/src/fix_ave_spatial.cpp +++ b/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}; diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp index 3d4eb57d07..3dea04e518 100644 --- a/src/fix_ave_time.cpp +++ b/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}; diff --git a/src/fix_aveforce.cpp b/src/fix_aveforce.cpp index c825e51b38..274820a0e3 100644 --- a/src/fix_aveforce.cpp +++ b/src/fix_aveforce.cpp @@ -26,6 +26,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NONE,CONSTANT,EQUAL}; diff --git a/src/fix_box_relax.cpp b/src/fix_box_relax.cpp index f2b045b511..15bb264be1 100644 --- a/src/fix_box_relax.cpp +++ b/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}; diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index 864a97db6f..276beba289 100644 --- a/src/fix_deform.cpp +++ b/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}; diff --git a/src/fix_deposit.cpp b/src/fix_deposit.cpp index 8bc15c34ba..b3f403a8d4 100644 --- a/src/fix_deposit.cpp +++ b/src/fix_deposit.cpp @@ -30,6 +30,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_drag.cpp b/src/fix_drag.cpp index 51e744aada..30c886ae71 100644 --- a/src/fix_drag.cpp +++ b/src/fix_drag.cpp @@ -22,6 +22,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_dt_reset.cpp b/src/fix_dt_reset.cpp index c35903a69b..1e60535fcc 100644 --- a/src/fix_dt_reset.cpp +++ b/src/fix_dt_reset.cpp @@ -30,6 +30,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define BIG 1.0e20 diff --git a/src/fix_efield.cpp b/src/fix_efield.cpp index 3360c76722..ac953950f1 100644 --- a/src/fix_efield.cpp +++ b/src/fix_efield.cpp @@ -30,6 +30,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{CONSTANT,EQUAL,ATOM}; diff --git a/src/fix_enforce2d.cpp b/src/fix_enforce2d.cpp index ad7ef9f615..d6f02b0188 100644 --- a/src/fix_enforce2d.cpp +++ b/src/fix_enforce2d.cpp @@ -20,6 +20,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_evaporate.cpp b/src/fix_evaporate.cpp index e00d0ca9e3..eee0418b84 100644 --- a/src/fix_evaporate.cpp +++ b/src/fix_evaporate.cpp @@ -29,6 +29,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_external.cpp b/src/fix_external.cpp index dd92847cf0..63647b7a93 100644 --- a/src/fix_external.cpp +++ b/src/fix_external.cpp @@ -20,6 +20,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_gravity.cpp b/src/fix_gravity.cpp index de71e6bd79..153ed9445d 100644 --- a/src/fix_gravity.cpp +++ b/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}; diff --git a/src/fix_heat.cpp b/src/fix_heat.cpp index 45bd030cc2..645390180c 100644 --- a/src/fix_heat.cpp +++ b/src/fix_heat.cpp @@ -28,6 +28,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_indent.cpp b/src/fix_indent.cpp index 93e327ef70..a0fdceed38 100644 --- a/src/fix_indent.cpp +++ b/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}; diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index 4ee547dd89..60d18a5106 100644 --- a/src/fix_langevin.cpp +++ b/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}; diff --git a/src/fix_lineforce.cpp b/src/fix_lineforce.cpp index f56c28146a..5da729f84f 100644 --- a/src/fix_lineforce.cpp +++ b/src/fix_lineforce.cpp @@ -21,6 +21,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_minimize.cpp b/src/fix_minimize.cpp index e90aea1468..c0c61098d5 100644 --- a/src/fix_minimize.cpp +++ b/src/fix_minimize.cpp @@ -19,6 +19,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_momentum.cpp b/src/fix_momentum.cpp index 8fb7f3ae02..a2067a516d 100644 --- a/src/fix_momentum.cpp +++ b/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) diff --git a/src/fix_move.cpp b/src/fix_move.cpp index 74657fa86e..060eb61ae6 100644 --- a/src/fix_move.cpp +++ b/src/fix_move.cpp @@ -31,6 +31,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; using namespace MathConst; enum{LINEAR,WIGGLE,ROTATE,VARIABLE}; diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index 1aa2ad87fb..9ead1ad403 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -35,6 +35,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define DELTAFLIP 0.1 #define TILTMAX 1.5 diff --git a/src/fix_nh_sphere.cpp b/src/fix_nh_sphere.cpp index 7bdbcee266..5380508097 100644 --- a/src/fix_nh_sphere.cpp +++ b/src/fix_nh_sphere.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 diff --git a/src/fix_nph.cpp b/src/fix_nph.cpp index e65da36589..b9e0f9e223 100644 --- a/src/fix_nph.cpp +++ b/src/fix_nph.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_nph_sphere.cpp b/src/fix_nph_sphere.cpp index 550dd8f5bc..cdc7801cf5 100644 --- a/src/fix_nph_sphere.cpp +++ b/src/fix_nph_sphere.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_npt.cpp b/src/fix_npt.cpp index 84522560ac..a412bc9c6f 100644 --- a/src/fix_npt.cpp +++ b/src/fix_npt.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_npt_sphere.cpp b/src/fix_npt_sphere.cpp index b58971f550..4fafcccbb5 100644 --- a/src/fix_npt_sphere.cpp +++ b/src/fix_npt_sphere.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_nve.cpp b/src/fix_nve.cpp index ce4e253069..cf4044ab07 100644 --- a/src/fix_nve.cpp +++ b/src/fix_nve.cpp @@ -21,6 +21,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_nve_limit.cpp b/src/fix_nve_limit.cpp index a5e2b28946..8a47113f3c 100644 --- a/src/fix_nve_limit.cpp +++ b/src/fix_nve_limit.cpp @@ -23,6 +23,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_nve_noforce.cpp b/src/fix_nve_noforce.cpp index b4d67be752..ffffd01235 100644 --- a/src/fix_nve_noforce.cpp +++ b/src/fix_nve_noforce.cpp @@ -20,6 +20,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_nve_sphere.cpp b/src/fix_nve_sphere.cpp index a00fa0bdf1..a3d270155f 100644 --- a/src/fix_nve_sphere.cpp +++ b/src/fix_nve_sphere.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 diff --git a/src/fix_nvt.cpp b/src/fix_nvt.cpp index 60478e6c41..c7d7f054e8 100644 --- a/src/fix_nvt.cpp +++ b/src/fix_nvt.cpp @@ -18,6 +18,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_nvt_sllod.cpp b/src/fix_nvt_sllod.cpp index ab5c876ad3..a18787f177 100644 --- a/src/fix_nvt_sllod.cpp +++ b/src/fix_nvt_sllod.cpp @@ -29,6 +29,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NO_REMAP,X_REMAP,V_REMAP}; // same as fix_deform.cpp diff --git a/src/fix_nvt_sphere.cpp b/src/fix_nvt_sphere.cpp index 84c4a6bbc6..b90fc23ffc 100644 --- a/src/fix_nvt_sphere.cpp +++ b/src/fix_nvt_sphere.cpp @@ -18,6 +18,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_orient_fcc.cpp b/src/fix_orient_fcc.cpp index 109373add7..e9f4c8fbde 100644 --- a/src/fix_orient_fcc.cpp +++ b/src/fix_orient_fcc.cpp @@ -33,6 +33,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; using namespace MathConst; #define BIG 1000000000 diff --git a/src/fix_planeforce.cpp b/src/fix_planeforce.cpp index 5b7a0cfbec..43fe933c1c 100644 --- a/src/fix_planeforce.cpp +++ b/src/fix_planeforce.cpp @@ -21,6 +21,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_press_berendsen.cpp b/src/fix_press_berendsen.cpp index 36abc158b2..8238e3a617 100644 --- a/src/fix_press_berendsen.cpp +++ b/src/fix_press_berendsen.cpp @@ -28,6 +28,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NOBIAS,BIAS}; enum{NONE,XYZ,XY,YZ,XZ}; diff --git a/src/fix_print.cpp b/src/fix_print.cpp index c38945a8c0..7d2d5116a3 100644 --- a/src/fix_print.cpp +++ b/src/fix_print.cpp @@ -21,6 +21,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define MAXLINE 1024 diff --git a/src/fix_read_restart.cpp b/src/fix_read_restart.cpp index b3d850ac4f..e4d29a0a3b 100644 --- a/src/fix_read_restart.cpp +++ b/src/fix_read_restart.cpp @@ -17,6 +17,7 @@ #include "memory.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_recenter.cpp b/src/fix_recenter.cpp index ac752b99c3..a93c1b7893 100644 --- a/src/fix_recenter.cpp +++ b/src/fix_recenter.cpp @@ -27,6 +27,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{BOX,LATTICE,FRACTION}; diff --git a/src/fix_respa.cpp b/src/fix_respa.cpp index 37eda1e4da..f2fd4d1756 100644 --- a/src/fix_respa.cpp +++ b/src/fix_respa.cpp @@ -18,6 +18,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_restrain.cpp b/src/fix_restrain.cpp index f3048cc18d..723f156282 100644 --- a/src/fix_restrain.cpp +++ b/src/fix_restrain.cpp @@ -31,6 +31,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; using namespace MathConst; enum{DIHEDRAL}; diff --git a/src/fix_rigid.cpp b/src/fix_rigid.cpp index 63df87b782..2ff57ae4bd 100644 --- a/src/fix_rigid.cpp +++ b/src/fix_rigid.cpp @@ -35,6 +35,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; using namespace MathConst; #define TOLERANCE 1.0e-6 diff --git a/src/fix_rigid_nve.cpp b/src/fix_rigid_nve.cpp index 3b539f2533..39af01b2f5 100644 --- a/src/fix_rigid_nve.cpp +++ b/src/fix_rigid_nve.cpp @@ -34,6 +34,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_rigid_nvt.cpp b/src/fix_rigid_nvt.cpp index 824f8b4bbf..a6f1d07e03 100644 --- a/src/fix_rigid_nvt.cpp +++ b/src/fix_rigid_nvt.cpp @@ -35,6 +35,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_setforce.cpp b/src/fix_setforce.cpp index c7dba74f59..78f438fff3 100644 --- a/src/fix_setforce.cpp +++ b/src/fix_setforce.cpp @@ -26,6 +26,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NONE,CONSTANT,EQUAL,ATOM}; diff --git a/src/fix_shake.cpp b/src/fix_shake.cpp index 5cdce3ad25..db40a67da6 100644 --- a/src/fix_shake.cpp +++ b/src/fix_shake.cpp @@ -35,6 +35,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; using namespace MathConst; #define BIG 1.0e20 diff --git a/src/fix_shear_history.cpp b/src/fix_shear_history.cpp index 4e284c7f65..b1ef95806f 100644 --- a/src/fix_shear_history.cpp +++ b/src/fix_shear_history.cpp @@ -25,6 +25,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define MAXTOUCH 15 diff --git a/src/fix_spring.cpp b/src/fix_spring.cpp index f3ac3e378b..28a5b74a5e 100644 --- a/src/fix_spring.cpp +++ b/src/fix_spring.cpp @@ -27,6 +27,7 @@ #include "group.h" using namespace LAMMPS_NS; +using namespace FixConst; #define SMALL 1.0e-10 diff --git a/src/fix_spring_rg.cpp b/src/fix_spring_rg.cpp index 4723c8fdb9..c9c6322c6f 100644 --- a/src/fix_spring_rg.cpp +++ b/src/fix_spring_rg.cpp @@ -28,6 +28,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp index 4be64ed271..0b5378d4fe 100644 --- a/src/fix_spring_self.cpp +++ b/src/fix_spring_self.cpp @@ -26,6 +26,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_store_force.cpp b/src/fix_store_force.cpp index 98c5f918f8..20a0ea412c 100644 --- a/src/fix_store_force.cpp +++ b/src/fix_store_force.cpp @@ -21,6 +21,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp index 8a90365e0f..87f382b7db 100644 --- a/src/fix_store_state.cpp +++ b/src/fix_store_state.cpp @@ -27,6 +27,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{KEYWORD,COMPUTE,FIX,VARIABLE}; diff --git a/src/fix_temp_berendsen.cpp b/src/fix_temp_berendsen.cpp index bed8d8bb68..9182b42388 100644 --- a/src/fix_temp_berendsen.cpp +++ b/src/fix_temp_berendsen.cpp @@ -25,6 +25,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NOBIAS,BIAS}; diff --git a/src/fix_temp_rescale.cpp b/src/fix_temp_rescale.cpp index d0d67368bc..0eb2a965d6 100644 --- a/src/fix_temp_rescale.cpp +++ b/src/fix_temp_rescale.cpp @@ -27,6 +27,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{NOBIAS,BIAS}; diff --git a/src/fix_thermal_conductivity.cpp b/src/fix_thermal_conductivity.cpp index cf901c9a83..e3ec944e6d 100644 --- a/src/fix_thermal_conductivity.cpp +++ b/src/fix_thermal_conductivity.cpp @@ -28,6 +28,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define BIG 1.0e10 diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp index 1ef84c326c..5627802b7c 100644 --- a/src/fix_tmd.cpp +++ b/src/fix_tmd.cpp @@ -33,6 +33,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define CHUNK 1000 #define MAXLINE 256 diff --git a/src/fix_ttm.cpp b/src/fix_ttm.cpp index 4bc35c5097..8f5eecfc7a 100644 --- a/src/fix_ttm.cpp +++ b/src/fix_ttm.cpp @@ -34,6 +34,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #define MAXLINE 1024 diff --git a/src/fix_viscosity.cpp b/src/fix_viscosity.cpp index 04bcd3394c..e566a5057e 100644 --- a/src/fix_viscosity.cpp +++ b/src/fix_viscosity.cpp @@ -27,6 +27,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; // needs to be big, but not so big that lose precision when subtract velocity diff --git a/src/fix_viscous.cpp b/src/fix_viscous.cpp index 5345268bb4..f54140db02 100644 --- a/src/fix_viscous.cpp +++ b/src/fix_viscous.cpp @@ -21,6 +21,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_wall.cpp b/src/fix_wall.cpp index 405f6bfd2b..902d07bdde 100644 --- a/src/fix_wall.cpp +++ b/src/fix_wall.cpp @@ -26,6 +26,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{XLO,XHI,YLO,YHI,ZLO,ZHI}; enum{EDGE,CONSTANT,VARIABLE}; diff --git a/src/fix_wall_harmonic.cpp b/src/fix_wall_harmonic.cpp index e7eb85b54c..48a32331b5 100644 --- a/src/fix_wall_harmonic.cpp +++ b/src/fix_wall_harmonic.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_wall_lj126.cpp b/src/fix_wall_lj126.cpp index 47b0eba6f3..4aa87e07cc 100644 --- a/src/fix_wall_lj126.cpp +++ b/src/fix_wall_lj126.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_wall_lj93.cpp b/src/fix_wall_lj93.cpp index 0f8f9dff19..d2f92825e8 100644 --- a/src/fix_wall_lj93.cpp +++ b/src/fix_wall_lj93.cpp @@ -17,6 +17,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; /* ---------------------------------------------------------------------- */ diff --git a/src/fix_wall_reflect.cpp b/src/fix_wall_reflect.cpp index 7d2d9e4ff5..ed516c9b59 100644 --- a/src/fix_wall_reflect.cpp +++ b/src/fix_wall_reflect.cpp @@ -25,6 +25,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{XLO,XHI,YLO,YHI,ZLO,ZHI}; enum{EDGE,CONSTANT,VARIABLE}; diff --git a/src/fix_wall_region.cpp b/src/fix_wall_region.cpp index 151e20259d..bd5b3ea98b 100644 --- a/src/fix_wall_region.cpp +++ b/src/fix_wall_region.cpp @@ -26,6 +26,7 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; enum{LJ93,LJ126,COLLOID,HARMONIC}; diff --git a/src/modify.cpp b/src/modify.cpp index aeafe61d57..09f3a3ce29 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -28,30 +28,10 @@ #include "error.h" using namespace LAMMPS_NS; +using namespace FixConst; #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_PRE_FORCE 32768 -#define MIN_POST_FORCE 65536 -#define MIN_ENERGY 131072 -#define POST_RUN 262144 #define BIG 1.0e20