diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp index 289adef7f9b30817775d7e61929a8caa9fe0afd7..b22a4fc70f220fb98d2d29eda62a78f3875504d8 100755 --- a/src/ASPHERE/pair_gayberne.cpp +++ b/src/ASPHERE/pair_gayberne.cpp @@ -350,7 +350,7 @@ void PairGayBerne::init_style() avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid"); if (!avec) error->all(FLERR,"Pair gayberne requires atom style ellipsoid"); - neighbor->request(this); + neighbor->request(this,instance_me); // per-type shape precalculations // require that atom shapes are identical within each type diff --git a/src/ASPHERE/pair_line_lj.cpp b/src/ASPHERE/pair_line_lj.cpp index 219a8ea971693b4da965ff91cb7038d9471036ae..7f97902c578c68b226ac24761e82bdd0449af526 100644 --- a/src/ASPHERE/pair_line_lj.cpp +++ b/src/ASPHERE/pair_line_lj.cpp @@ -390,7 +390,7 @@ void PairLineLJ::init_style() avec = (AtomVecLine *) atom->style_match("line"); if (!avec) error->all(FLERR,"Pair line/lj requires atom style line"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp index 9764fe61dd5e81ba1fc550b98b8d09d0878953b8..adf8c5466016a210ca69aa686cb91aa1564c1d34 100755 --- a/src/ASPHERE/pair_resquared.cpp +++ b/src/ASPHERE/pair_resquared.cpp @@ -321,7 +321,7 @@ void PairRESquared::init_style() avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid"); if (!avec) error->all(FLERR,"Pair resquared requires atom style ellipsoid"); - neighbor->request(this); + neighbor->request(this,instance_me); // per-type shape precalculations // require that atom shapes are identical within each type diff --git a/src/ASPHERE/pair_tri_lj.cpp b/src/ASPHERE/pair_tri_lj.cpp index 72e6588a2496d768bc7eb392c51214dfe5c6d8dd..257341e60224692a6242501f8db8095b2dd4a9cc 100644 --- a/src/ASPHERE/pair_tri_lj.cpp +++ b/src/ASPHERE/pair_tri_lj.cpp @@ -474,7 +474,7 @@ void PairTriLJ::init_style() avec = (AtomVecTri *) atom->style_match("tri"); if (!avec) error->all(FLERR,"Pair tri/lj requires atom style tri"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/BODY/pair_body.cpp b/src/BODY/pair_body.cpp index 494bc4924346372898ec962f5e8296412fbef16f..4d565e0ed1b5541fc90c8bccfae6caae9b887715 100644 --- a/src/BODY/pair_body.cpp +++ b/src/BODY/pair_body.cpp @@ -423,7 +423,7 @@ void PairBody::init_style() error->all(FLERR,"Pair body requires body style nparticle"); bptr = (BodyNparticle *) avec->bptr; - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp index b4ede4e9761cb4b458ef896947ced58cc5a65d8d..7f851fd239c78e22e9bcc08ebf795c4fdc4a8e00 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.cpp +++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp @@ -253,7 +253,7 @@ void PairLJClass2CoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/class2/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp index 60c3ca7e0426d5d8424d7644dc5bb680af8f7f77..2460515b984db9faaf8535fb5521550496e93e53 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.cpp +++ b/src/CLASS2/pair_lj_class2_coul_long.cpp @@ -287,7 +287,7 @@ void PairLJClass2CoulLong::init_style() error->all(FLERR, "Pair style lj/class2/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/COLLOID/pair_yukawa_colloid.cpp b/src/COLLOID/pair_yukawa_colloid.cpp index b0b33c46eb7c30c42edf0bd7fade5861be6cbcac..13d632526f98d6b6ab280f70995351b582744f97 100644 --- a/src/COLLOID/pair_yukawa_colloid.cpp +++ b/src/COLLOID/pair_yukawa_colloid.cpp @@ -126,7 +126,7 @@ void PairYukawaColloid::init_style() if (!atom->sphere_flag) error->all(FLERR,"Pair yukawa/colloid requires atom style sphere"); - neighbor->request(this); + neighbor->request(this,instance_me); // require that atom radii are identical within each type diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp index b0c247b667fdccb68bdfe3e8c23ac3c44e343a4d..d87434871879e6a7cd457afb954c2a584998550c 100755 --- a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp @@ -361,7 +361,7 @@ void PairLJCutDipoleCut::init_style() if (!atom->q_flag || !atom->mu_flag || !atom->torque_flag) error->all(FLERR,"Pair dipole/cut requires atom attributes q, mu, torque"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.cpp b/src/DIPOLE/pair_lj_cut_dipole_long.cpp index 2796b54ac1a43d45b830e7bf12d330372228336b..60190ce905dba9fba4440dc9c884d54dc45bb507 100755 --- a/src/DIPOLE/pair_lj_cut_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_long.cpp @@ -456,7 +456,7 @@ void PairLJCutDipoleLong::init_style() cut_coulsq = cut_coul * cut_coul; - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp index b476cfceee740fda78bc22f67a5a7fbd9f40ad82..7253dd3c13c774d6374bbc9ebc0bc0b4689652c8 100755 --- a/src/DIPOLE/pair_lj_long_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp @@ -240,7 +240,7 @@ void PairLJLongDipoleLong::init_style() if (!atom->torque && (ewald_order&(1<<3))) error->all(FLERR,"Pair lj/long/dipole/long requires atom attributes mu, torque"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/FLD/pair_brownian.cpp b/src/FLD/pair_brownian.cpp index 47281b4c424725a882b99cabf6b64dfb9fc6bc79..3aa96288ba96882b00e51ef84d13f8d73fb6b977 100755 --- a/src/FLD/pair_brownian.cpp +++ b/src/FLD/pair_brownian.cpp @@ -463,7 +463,7 @@ void PairBrownian::init_style() "Pair brownian needs newton pair on for " "momentum conservation"); - neighbor->request(this); + neighbor->request(this,instance_me); // insure all particles are finite-size // for pair hybrid, should limit test to types using the pair style diff --git a/src/FLD/pair_brownian_poly.cpp b/src/FLD/pair_brownian_poly.cpp index 6c18f87f0bf1c59a9599f9ada4d3601490b002ed..c0a958ea7dd670e1fce8195bab01a25b63ae0e0b 100644 --- a/src/FLD/pair_brownian_poly.cpp +++ b/src/FLD/pair_brownian_poly.cpp @@ -345,7 +345,7 @@ void PairBrownianPoly::init_style() if (radius[i] == 0.0) error->one(FLERR,"Pair brownian/poly requires extended particles"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/FLD/pair_lubricate.cpp b/src/FLD/pair_lubricate.cpp index 7feb915e6732e0425f292a1957ed27cb449ef25f..79046e445dccc28dcc9d7fe1e9c430206c0258cd 100755 --- a/src/FLD/pair_lubricate.cpp +++ b/src/FLD/pair_lubricate.cpp @@ -543,7 +543,7 @@ void PairLubricate::init_style() if (comm->ghost_velocity == 0) error->all(FLERR,"Pair lubricate requires ghost atoms store velocity"); - neighbor->request(this); + neighbor->request(this,instance_me); // require that atom radii are identical within each type // require monodisperse system with same radii for all types diff --git a/src/FLD/pair_lubricateU.cpp b/src/FLD/pair_lubricateU.cpp index 2a4bbf7fe0173746b8cfbb40ac35f0863a94beaa..66e9ab140045efd9513e35b5eaa2283265187b3f 100644 --- a/src/FLD/pair_lubricateU.cpp +++ b/src/FLD/pair_lubricateU.cpp @@ -1773,7 +1773,7 @@ void PairLubricateU::init_style() if (comm->ghost_velocity == 0) error->all(FLERR,"Pair lubricateU requires ghost atoms store velocity"); - neighbor->request(this); + neighbor->request(this,instance_me); // require that atom radii are identical within each type // require monodisperse system with same radii for all types diff --git a/src/FLD/pair_lubricateU_poly.cpp b/src/FLD/pair_lubricateU_poly.cpp index f78d1495227a1bd028c3a66173c39a5bc73be677..02734c058bb9404a7712f476e046aeb9e8577b25 100644 --- a/src/FLD/pair_lubricateU_poly.cpp +++ b/src/FLD/pair_lubricateU_poly.cpp @@ -1228,7 +1228,7 @@ void PairLubricateUPoly::init_style() RS0 = 20.0/3.0*MY_PI*mu*(1.0 + 3.64*vol_f - 6.95*vol_f*vol_f); } - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/FLD/pair_lubricate_poly.cpp b/src/FLD/pair_lubricate_poly.cpp index 5d1b5b8da033a3fdf9465aa2762d4ae9dc3e8360..937c5a315a077f3864aec77e9fd9256263d9918d 100644 --- a/src/FLD/pair_lubricate_poly.cpp +++ b/src/FLD/pair_lubricate_poly.cpp @@ -446,7 +446,7 @@ void PairLubricatePoly::init_style() if (radius[i] == 0.0) error->one(FLERR,"Pair lubricate/poly requires extended particles"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/GPU/pair_beck_gpu.cpp b/src/GPU/pair_beck_gpu.cpp index 6f52b3eb8a758f5364960a2675705b32375fa413..614c088b03431c24b74941ad2e86c698b24b9167 100644 --- a/src/GPU/pair_beck_gpu.cpp +++ b/src/GPU/pair_beck_gpu.cpp @@ -155,7 +155,7 @@ void PairBeckGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_born_coul_long_gpu.cpp b/src/GPU/pair_born_coul_long_gpu.cpp index b774665e97aa1e20fde473cf84fa810c361c7387..cabdaeeeaa6d0157aae213a32ab27c052586e082 100644 --- a/src/GPU/pair_born_coul_long_gpu.cpp +++ b/src/GPU/pair_born_coul_long_gpu.cpp @@ -190,7 +190,7 @@ void PairBornCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_born_coul_wolf_gpu.cpp b/src/GPU/pair_born_coul_wolf_gpu.cpp index 05debf4ef7f22dd3318d2af5e85c371d5085b231..5d09b0325f6d5007a574f6ce0158908000703cea 100644 --- a/src/GPU/pair_born_coul_wolf_gpu.cpp +++ b/src/GPU/pair_born_coul_wolf_gpu.cpp @@ -175,7 +175,7 @@ void PairBornCoulWolfGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_born_gpu.cpp b/src/GPU/pair_born_gpu.cpp index 4b33535334ac523eb6406355922f1ebedd6b6e6a..4df91fde153ffd94f12ba2ce73c24d52547b7af8 100644 --- a/src/GPU/pair_born_gpu.cpp +++ b/src/GPU/pair_born_gpu.cpp @@ -159,7 +159,7 @@ void PairBornGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_buck_coul_cut_gpu.cpp b/src/GPU/pair_buck_coul_cut_gpu.cpp index 1afba425318dfd744e447c3e47764ec499cfda5e..e00fb88c02e25463a54f250c54ebcc620eb0601a 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.cpp +++ b/src/GPU/pair_buck_coul_cut_gpu.cpp @@ -163,7 +163,7 @@ void PairBuckCoulCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_buck_coul_long_gpu.cpp b/src/GPU/pair_buck_coul_long_gpu.cpp index caa45e6537acfb0f4f4f53b6f27465dbc41f3a4e..108596c3198d9040ad0af6daaad87af9908c7d7c 100644 --- a/src/GPU/pair_buck_coul_long_gpu.cpp +++ b/src/GPU/pair_buck_coul_long_gpu.cpp @@ -184,7 +184,7 @@ void PairBuckCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_buck_gpu.cpp b/src/GPU/pair_buck_gpu.cpp index a30164bac7aae4107136652b2e785cf628ea5a36..de64bfd90c55bcd4c8487e1f1c9a8162036450f0 100644 --- a/src/GPU/pair_buck_gpu.cpp +++ b/src/GPU/pair_buck_gpu.cpp @@ -156,7 +156,7 @@ void PairBuckGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_colloid_gpu.cpp b/src/GPU/pair_colloid_gpu.cpp index 77dbdb344b68fbed7773e95910db057050e8e271..1b164df8f6090ae8542f6ec3ae8e7db2aa912efc 100644 --- a/src/GPU/pair_colloid_gpu.cpp +++ b/src/GPU/pair_colloid_gpu.cpp @@ -168,7 +168,7 @@ void PairColloidGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_cut_gpu.cpp b/src/GPU/pair_coul_cut_gpu.cpp index fb0edafae0c6293c49950990285808cef5727836..04345b920922845e221f810a4f8b19a8381fe929 100644 --- a/src/GPU/pair_coul_cut_gpu.cpp +++ b/src/GPU/pair_coul_cut_gpu.cpp @@ -161,7 +161,7 @@ void PairCoulCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_debye_gpu.cpp b/src/GPU/pair_coul_debye_gpu.cpp index e4aa503dca29fbe3fb1bb818e58acf4c8e841d7b..19ae6b3162b6cbcda7efe4792bedc4b7833e0bd5 100644 --- a/src/GPU/pair_coul_debye_gpu.cpp +++ b/src/GPU/pair_coul_debye_gpu.cpp @@ -163,7 +163,7 @@ void PairCoulDebyeGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_dsf_gpu.cpp b/src/GPU/pair_coul_dsf_gpu.cpp index 3fd13ccad0c8342d4221a06e0cea959efd99ac2c..8b5985e8c6de650e43ba8f75be6800b6720ec563 100644 --- a/src/GPU/pair_coul_dsf_gpu.cpp +++ b/src/GPU/pair_coul_dsf_gpu.cpp @@ -180,7 +180,7 @@ void PairCoulDSFGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_long_gpu.cpp b/src/GPU/pair_coul_long_gpu.cpp index 76ee538da49cb4d3e1b2d3c1e089160951da69f1..9bc52860782f5d630bc1f3f2d20e019bad359217 100644 --- a/src/GPU/pair_coul_long_gpu.cpp +++ b/src/GPU/pair_coul_long_gpu.cpp @@ -170,7 +170,7 @@ void PairCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_dpd_gpu.cpp b/src/GPU/pair_dpd_gpu.cpp index 552e598f4c93ad956b06527f88d9d96aefeb5191..dacdaa5e5618ed46a9adc1ba737667a178562a66 100644 --- a/src/GPU/pair_dpd_gpu.cpp +++ b/src/GPU/pair_dpd_gpu.cpp @@ -303,7 +303,7 @@ void PairDPDGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_dpd_tstat_gpu.cpp b/src/GPU/pair_dpd_tstat_gpu.cpp index 84fdf43665cba8734b42a8701078bfe3e649621a..b5233027f93334f1a727abfd661a1375949e0169 100644 --- a/src/GPU/pair_dpd_tstat_gpu.cpp +++ b/src/GPU/pair_dpd_tstat_gpu.cpp @@ -320,7 +320,7 @@ void PairDPDTstatGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp index adb859003892d75043678b85d2e26da2de4985cc..c9aba74c250588646efe9d76792f815ec621c790 100644 --- a/src/GPU/pair_eam_gpu.cpp +++ b/src/GPU/pair_eam_gpu.cpp @@ -181,7 +181,7 @@ void PairEAMGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_gauss_gpu.cpp b/src/GPU/pair_gauss_gpu.cpp index 2065c927fd8e02cda9e097afda579905eb8135dc..c7b47131a648d28f4fa614bcc200730d60c5c773 100644 --- a/src/GPU/pair_gauss_gpu.cpp +++ b/src/GPU/pair_gauss_gpu.cpp @@ -153,7 +153,7 @@ void PairGaussGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp index d6960333411b1a515768c021e07edd55c77c6567..75191f93135d4a058b97e460e5b74f0cf5e3d1bd 100644 --- a/src/GPU/pair_gayberne_gpu.cpp +++ b/src/GPU/pair_gayberne_gpu.cpp @@ -203,7 +203,7 @@ void PairGayBerneGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj96_cut_gpu.cpp b/src/GPU/pair_lj96_cut_gpu.cpp index e870643fb4dd14d14688671dcb45ad36b7e0f1a0..7dacbf68bc599c15ccb3924dc8b020b0e0e97613 100644 --- a/src/GPU/pair_lj96_cut_gpu.cpp +++ b/src/GPU/pair_lj96_cut_gpu.cpp @@ -155,7 +155,7 @@ void PairLJ96CutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp index 52266d840c81904f82295f4dcf054810d0b1ad9f..da9974e7f9fa38dde9fb425b55a42647d3094d4c 100644 --- a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp @@ -201,7 +201,7 @@ void PairLJCharmmCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.cpp b/src/GPU/pair_lj_class2_coul_long_gpu.cpp index 1bff038864f3cecfb2f9b714ffa3ba521052101d..1ec4f5aa8389c9d6da96d0b843f79ff28266c850 100644 --- a/src/GPU/pair_lj_class2_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_class2_coul_long_gpu.cpp @@ -180,7 +180,7 @@ void PairLJClass2CoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_class2_gpu.cpp b/src/GPU/pair_lj_class2_gpu.cpp index 9b97abfd6f981afd6be8e7be79371c486f1bbabd..b34fc607005c81a31f62a552e4b622b5ca6d4edf 100644 --- a/src/GPU/pair_lj_class2_gpu.cpp +++ b/src/GPU/pair_lj_class2_gpu.cpp @@ -152,7 +152,7 @@ void PairLJClass2GPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp index 6c79c66117442c2556a796361a66916879fab37a..9a964e366875e15f5b894fe3e5ae652b81e6e45b 100644 --- a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp @@ -164,7 +164,7 @@ void PairLJCutCoulCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp index e5e6f087db73c2d5dc6435ccd1ba716a8a61f62b..724d0d9d03b4f821b719a118045eaae3a8f49ab2 100644 --- a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp @@ -167,7 +167,7 @@ void PairLJCutCoulDebyeGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp index 22de6bd186f7553da4231c08d0c486f398d234b2..954b89d77054034a4cca614046d0aace4a58b8d3 100644 --- a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp @@ -182,7 +182,7 @@ void PairLJCutCoulDSFGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.cpp b/src/GPU/pair_lj_cut_coul_long_gpu.cpp index 166649f6d9c16b0e534e939741b517cebdaa2631..d800759d7f704ed1086ff9dc8849d334168a2c0a 100644 --- a/src/GPU/pair_lj_cut_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_long_gpu.cpp @@ -189,7 +189,7 @@ void PairLJCutCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp index 4918d1eee3eb8ca1c5863ce19615c0a56c593ba8..4972ce57b145c8f1f87d67a7bd467f58418c2c12 100644 --- a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp @@ -176,7 +176,7 @@ void PairLJCutCoulMSMGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp index 351873e4e7ed80f438ed3adc2350c51b8f6e7a58..348fe44b248dbe34fe22745e8ae29161bed3a09d 100755 --- a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp @@ -169,7 +169,7 @@ void PairLJCutDipoleCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_gpu.cpp b/src/GPU/pair_lj_cut_gpu.cpp index 6d0556bb315d1d216e66d04e10f4b0eff67c6943..39c95df5b6848cdb831406bf62e2077c3cc0857a 100644 --- a/src/GPU/pair_lj_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_gpu.cpp @@ -159,7 +159,7 @@ void PairLJCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_expand_gpu.cpp b/src/GPU/pair_lj_expand_gpu.cpp index 20185905e3bab4ff18d4fed28a0d0807e5a435eb..1bafd362bdbcc5091398e1c2d5422469e9933ffa 100644 --- a/src/GPU/pair_lj_expand_gpu.cpp +++ b/src/GPU/pair_lj_expand_gpu.cpp @@ -156,7 +156,7 @@ void PairLJExpandGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_gromacs_gpu.cpp b/src/GPU/pair_lj_gromacs_gpu.cpp index 1b0a52a4cc9d8e7abed845cc0c8547e3bd1446e4..ca71a49314660d780ef37f428fe8ba70cb49ec10 100644 --- a/src/GPU/pair_lj_gromacs_gpu.cpp +++ b/src/GPU/pair_lj_gromacs_gpu.cpp @@ -160,7 +160,7 @@ void PairLJGromacsGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp index 1d35384a738b68641d9ecb5ae78b4d164529047d..426b5dfae939d4a0d096c2a86a74932a8307da8b 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp @@ -194,7 +194,7 @@ void PairLJSDKCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp index fab7682542feed71ad60809cc3e45cf31532e1cf..e19860d607dded693583fa50031c3618d68ae3e2 100644 --- a/src/GPU/pair_lj_sdk_gpu.cpp +++ b/src/GPU/pair_lj_sdk_gpu.cpp @@ -161,7 +161,7 @@ void PairLJSDKGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp index c5db426651a523706811bc6cd9ca510498699b0a..81ec6c1d02774422713332b82d5d34effe941ed7 100755 --- a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp +++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp @@ -168,7 +168,7 @@ void PairLJSFDipoleSFGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_mie_cut_gpu.cpp b/src/GPU/pair_mie_cut_gpu.cpp index 1b0be6cbfb169a445b790d6c6295e4adc8e5334c..3a6334f85ec48203b3400807de5f3bc568b01722 100644 --- a/src/GPU/pair_mie_cut_gpu.cpp +++ b/src/GPU/pair_mie_cut_gpu.cpp @@ -156,7 +156,7 @@ void PairMIECutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_morse_gpu.cpp b/src/GPU/pair_morse_gpu.cpp index feacd1d25ebe39cdfdc002993705d122a2bef66b..ad2b3b0b37e9ddf6faad7d92b0951448ae5c2682 100644 --- a/src/GPU/pair_morse_gpu.cpp +++ b/src/GPU/pair_morse_gpu.cpp @@ -152,7 +152,7 @@ void PairMorseGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp index e500785d4a8b4399d23926048dff9769c5ee1681..f26883376c8652e78825c70dc600d0c675070a33 100644 --- a/src/GPU/pair_resquared_gpu.cpp +++ b/src/GPU/pair_resquared_gpu.cpp @@ -201,7 +201,7 @@ void PairRESquaredGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_soft_gpu.cpp b/src/GPU/pair_soft_gpu.cpp index 71729cf3d29166290675cbd2b29e27a5597ef52b..b36d5d27be8d2ba5764aab86c56be48379f5529e 100644 --- a/src/GPU/pair_soft_gpu.cpp +++ b/src/GPU/pair_soft_gpu.cpp @@ -157,7 +157,7 @@ void PairSoftGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_sw_gpu.cpp b/src/GPU/pair_sw_gpu.cpp index 1a395f2875ed99a3572fb18ca193358a4b29f8a5..70e271122d110f4871b02b9f6a8bb5fcc9b9e69b 100644 --- a/src/GPU/pair_sw_gpu.cpp +++ b/src/GPU/pair_sw_gpu.cpp @@ -201,7 +201,7 @@ void PairSWGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/GPU/pair_table_gpu.cpp b/src/GPU/pair_table_gpu.cpp index 18772c82d021098f68c495da3da8656f200379be..6b1ca065c0764f22b95e6de86412e40cb52a0e0f 100644 --- a/src/GPU/pair_table_gpu.cpp +++ b/src/GPU/pair_table_gpu.cpp @@ -227,7 +227,7 @@ void PairTableGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_yukawa_colloid_gpu.cpp b/src/GPU/pair_yukawa_colloid_gpu.cpp index 7c1d8dd55b113f2b6fefd00851971cf684a56b63..febdc33040917a4a930b160b15e68ddd17806d41 100644 --- a/src/GPU/pair_yukawa_colloid_gpu.cpp +++ b/src/GPU/pair_yukawa_colloid_gpu.cpp @@ -162,7 +162,7 @@ void PairYukawaColloidGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_yukawa_gpu.cpp b/src/GPU/pair_yukawa_gpu.cpp index df384e6207d7ee62b96415b8c87316967c71bd2e..5e4a0dc7788a593b6ae781c01d327f16a1a6df36 100644 --- a/src/GPU/pair_yukawa_gpu.cpp +++ b/src/GPU/pair_yukawa_gpu.cpp @@ -154,7 +154,7 @@ void PairYukawaGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index fddba13a978ef142425abebd75787fb47bbd7d52..9c09dcddc46cf8483263342955e3a1570df41bf1 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -408,11 +408,11 @@ void PairGranHookeHistory::init_style() // need a granular neigh list and optionally a granular history neigh list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->gran = 1; if (history) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->granhistory = 1; diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index 5319276d1e993b2bf05f62aa795ccf176a6c5d77..082e1ee4bb053865cd449522b15fe4c186727326 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -415,7 +415,7 @@ void PairKIM::init_style() // request none, half, or full neighbor list // depending on KIM model requirement - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); if (kim_model_using_cluster) { neighbor->requests[irequest]->half = 0; diff --git a/src/KOKKOS/pair_table_kokkos.cpp b/src/KOKKOS/pair_table_kokkos.cpp index c8c2f509020a46a5243344673b9a164db6ac8697..dfd6787c95f40febfba211551644493b747b18b6 100644 --- a/src/KOKKOS/pair_table_kokkos.cpp +++ b/src/KOKKOS/pair_table_kokkos.cpp @@ -1249,7 +1249,7 @@ void *PairTableKokkos<DeviceType>::extract(const char *str, int &dim) template<class DeviceType> void PairTableKokkos<DeviceType>::init_style() { - neighbor->request(this); + neighbor->request(this,instance_me); neighflag = lmp->kokkos->neighflag; int irequest = neighbor->nrequest - 1; diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index 1c83e0a4b05d2728143518c6cc441e8560feefb9..35b8b517e5f8255177e60c080d7d7ac21c5098ad 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -380,7 +380,7 @@ void PairBornCoulLong::init_style() error->all(FLERR,"Pair style requires a KSpace style"); g_ewald = force->kspace->g_ewald; - neighbor->request(this); + neighbor->request(this,instance_me); // setup force tables diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp index d49da2dea9f1dbd089d1eb555776ae9375947788..7db7211908975a7fd5978463612580995f3f849b 100644 --- a/src/KSPACE/pair_buck_coul_long.cpp +++ b/src/KSPACE/pair_buck_coul_long.cpp @@ -357,7 +357,7 @@ void PairBuckCoulLong::init_style() error->all(FLERR,"Pair style requires a KSpace style"); g_ewald = force->kspace->g_ewald; - neighbor->request(this); + neighbor->request(this,instance_me); // setup force tables diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index 342a6c5ed80dfa63b08d6321e00c981050d9ca99..3b8692185403f5a5385953a140170ba0931041a1 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -243,32 +243,32 @@ void PairBuckLongCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); } cut_coulsq = cut_coul * cut_coul; diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp index a0f7d3ee242ac2b2b5501d38fa58fb9857d216a0..84c4854deb0cc7b08a20f766a6e81b3d7f628831 100644 --- a/src/KSPACE/pair_coul_long.cpp +++ b/src/KSPACE/pair_coul_long.cpp @@ -237,7 +237,7 @@ void PairCoulLong::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp index 96f9cfd89cc9d8535728940b6b25582996e82d57..a92d175cc2e313233444c750489a1b0243d3456f 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp @@ -717,32 +717,32 @@ void PairLJCharmmCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // require cut_lj_inner < cut_lj diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp index 427012fa085adbc31bd3543493a4c6f860771a23..87a9c78b1fd862c8197a1efd62452f407d7e28eb 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long.cpp @@ -664,32 +664,32 @@ void PairLJCutCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index 32d962581f0608a0667249474a3452562aa55a1e..06e77482d2c477fda66f85b873a780dd37de4d55 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -237,32 +237,32 @@ void PairLJLongCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); } cut_coulsq = cut_coul * cut_coul; diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index d19ffd1ff1c46a43fe693adc6bc146b18db8200e..369bcc8c9e27b8dc03e9d5e11b354c68ae564385 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -513,7 +513,7 @@ void PairADP::init_style() file2array(); array2spline(); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index 98db58ec404a7159ca037f26fda7d814c18b5840..c643bd3b9f22bf4b919bd1d76c06b7578c0c7b54 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -216,7 +216,7 @@ void PairAIREBO::init_style() // need a full neighbor list, including neighbors of ghosts - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index c6f5f4bfc8b649a6e5180c737bd09fdf622b9cd6..1017e58b47712753de4d1cd5ea733c7a71653797 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -617,7 +617,7 @@ void PairBOP::init_style() // need a full neighbor list and neighbors of ghosts - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 0d32eef0f9339041ceef9831a129eff3a4e19f09..be536e97942d59c5f576634ea653d5cd0520e152 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -542,7 +542,7 @@ void PairComb::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 2cc5afe574f9452ed913eee4a09dc04811330d1d..8244df3bcc787800cb02ca91bdc76f2eb1001506 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -266,7 +266,7 @@ void PairComb3::init_style() error->all(FLERR,"Pair style COMB3 requires atom attribute q"); // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index f6d8f8c6dbac09cd9f254592881c042ebce20ac7..f53b6a9e3f4c364a29232361e2c664f33a696383 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -401,7 +401,7 @@ void PairEAM::init_style() file2array(); array2spline(); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 52706e2a651a9d257483e55dc7c4d697ac29aca7..9206229e9d5aa1630d92bd9810a1a4cbb61e334e 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -432,7 +432,7 @@ void PairEIM::init_style() file2array(); array2spline(); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp index 4f9f897495313698891fc87616488adf93977102..464f50cacbe9c00c75259fcb1ca255438befd9f0 100644 --- a/src/MANYBODY/pair_lcbop.cpp +++ b/src/MANYBODY/pair_lcbop.cpp @@ -188,7 +188,7 @@ void PairLCBOP::init_style() // need a full neighbor list, including neighbors of ghosts - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index b3512f5087d555be26770aa90d12c8f6afbbdbb5..b42bb0e9a3ed51d13a9a222169bf9fb2f8198833 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -296,7 +296,7 @@ void PairNb3bHarmonic::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index 554d524f0dadf79ec35a01737edbf8d378a95926..a4b85177f2c9ca796626ed6a834183b7a2c510c6 100755 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -306,7 +306,7 @@ void PairSW::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index 89825219399b63b36c14074371978405b607406d..1b921359e312b02ec878a07d2bd300297c81495e 100755 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -346,7 +346,7 @@ void PairTersoff::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index 6b1041a2daecb6531520ce6557712040167359c1..9936729390ea29f212e1e63f480a46428a3cb887 100755 --- a/src/MC/fix_bond_create.cpp +++ b/src/MC/fix_bond_create.cpp @@ -246,7 +246,7 @@ void FixBondCreate::init() // need a half neighbor list, built every Nevery steps - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/MC/fix_bond_swap.cpp b/src/MC/fix_bond_swap.cpp index aaa9befee50238bef36abda23b036e058346f9d9..448c1641597897a475708f9cc925209bcf881096 100644 --- a/src/MC/fix_bond_swap.cpp +++ b/src/MC/fix_bond_swap.cpp @@ -166,7 +166,7 @@ void FixBondSwap::init() // need a half neighbor list, built every Nevery steps - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp index 2c5bef0461b5d002600dd1a2b1dac210d21f4346..f3fbe0a70d4350ad55a0a96003aecd53ba8e6c80 100644 --- a/src/MEAM/pair_meam.cpp +++ b/src/MEAM/pair_meam.cpp @@ -413,11 +413,11 @@ void PairMEAM::init_style() // need full and half neighbor list - int irequest_full = neighbor->request(this); + int irequest_full = neighbor->request(this,instance_me); neighbor->requests[irequest_full]->id = 1; neighbor->requests[irequest_full]->half = 0; neighbor->requests[irequest_full]->full = 1; - int irequest_half = neighbor->request(this); + int irequest_half = neighbor->request(this,instance_me); neighbor->requests[irequest_half]->id = 2; neighbor->requests[irequest_half]->half = 0; neighbor->requests[irequest_half]->half_from_full = 1; diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp index 1813b5dab6e172b6302023a813f7f9d8fdec5b68..b636af290d927ca7f9fbf97ecc15a587b6448e36 100644 --- a/src/MISC/fix_orient_fcc.cpp +++ b/src/MISC/fix_orient_fcc.cpp @@ -212,7 +212,7 @@ void FixOrientFCC::init() // need a full neighbor list, built whenever re-neighboring occurs - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp index 6b1d6c5428c1021f829740109e0714fe59b7c8b2..33bddb522363d31d9b7ef9328e5f8eebb765ea03 100644 --- a/src/MISC/pair_nm_cut_coul_cut.cpp +++ b/src/MISC/pair_nm_cut_coul_cut.cpp @@ -271,7 +271,7 @@ void PairNMCutCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style nm/cut/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp index b371e3c07d4835b188a17385dd35c83918881c70..b613b584c20007b1b735e7d8185e5296fd29e5f2 100644 --- a/src/MISC/pair_nm_cut_coul_long.cpp +++ b/src/MISC/pair_nm_cut_coul_long.cpp @@ -307,7 +307,7 @@ void PairNMCutCoulLong::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style nm/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; // insure use of KSpace long-range solver, set g_ewald diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp index af6385b39df32e50ab171ada8870a95e08a43a2e..cfb2dfeb5744032140cc979520b736dff5a24c0d 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp @@ -438,7 +438,7 @@ void PairHbondDreidingLJ::init_style() // full neighbor list request - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp index 7fda882302ad6aa46c56868b276750414cebe922..f0b31b1bafac1cad3b30c7b4cc988b772b59127c 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp @@ -362,7 +362,7 @@ void PairHbondDreidingMorse::init_style() // full neighbor list request - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp index 390e21d3316919f67a9a03a0a91fff6c3830ebb0..430b805f0f1807f27147298d5e6577985d934cb4 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp @@ -284,7 +284,7 @@ void PairLJCharmmCoulCharmm::init_style() error->all(FLERR, "Pair style lj/charmm/coul/charmm requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); // require cut_lj_inner < cut_lj, cut_coul_inner < cut_coul diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp index f76e8260ced385e1adb9bf21b8491c1ef4cd9219..3ba9ee7edba83d6e7eab767c8cbbecb0b555fbaf 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp @@ -489,7 +489,7 @@ void PairLJCutTIP4PCut::init_style() if (force->angle == NULL) error->all(FLERR,"Must use an angle style with TIP4P potential"); - neighbor->request(this); + neighbor->request(this,instance_me); // set alpha parameter diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp index cd344f246877dc3d584dd91357d608d98cb9be30..f6a0d0bb4364df6c7075a3a78650264b2e4f66bd 100644 --- a/src/MOLECULE/pair_tip4p_cut.cpp +++ b/src/MOLECULE/pair_tip4p_cut.cpp @@ -420,7 +420,7 @@ void PairTIP4PCut::init_style() if (force->angle == NULL) error->all(FLERR,"Must use an angle style with TIP4P potential"); - neighbor->request(this); + neighbor->request(this,instance_me); // set alpha parameter diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp index 922986c3023dcc2b3abacbe9e5e3d1c2f036b12e..1b79a4c60b4fb32c0d78d6d5cbecfd8849750d2e 100644 --- a/src/PERI/fix_peri_neigh.cpp +++ b/src/PERI/fix_peri_neigh.cpp @@ -119,7 +119,7 @@ void FixPeriNeigh::init() // need a full neighbor list once - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp index b3f701ea12d7860be717b19483c174b236659d5b..1d9361a3625dee3a98a18b16e767fab2f8569fbb 100644 --- a/src/PERI/pair_peri_eps.cpp +++ b/src/PERI/pair_peri_eps.cpp @@ -532,7 +532,7 @@ void PairPeriEPS::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp index 8020b6b9bd0e416f94de3ded0b24de21714a2131..00c7f3dc3f2601a85b81f417914a7c511c6d4c04 100644 --- a/src/PERI/pair_peri_lps.cpp +++ b/src/PERI/pair_peri_lps.cpp @@ -453,7 +453,7 @@ void PairPeriLPS::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp index 77ca26d1e3e0ad83510e4c569b8d9345b690ff32..2b68a2522724bae058dc7e47582207fdb4018026 100644 --- a/src/PERI/pair_peri_pmb.cpp +++ b/src/PERI/pair_peri_pmb.cpp @@ -387,7 +387,7 @@ void PairPeriPMB::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp index 243c05068724cfe0493c788e4b12bb0abfd090ea..a7a39cdda7ead57e6d7698e5c46ee6b7ce98fdbc 100644 --- a/src/PERI/pair_peri_ves.cpp +++ b/src/PERI/pair_peri_ves.cpp @@ -512,7 +512,7 @@ void PairPeriVES::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index f52f9e0c5472d6d691eec723dc43576966249480..5db7d28713669e450de304f268de34c98790fa6b 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -70,7 +70,7 @@ void FixQEqDynamic::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/dynamic group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 1; diff --git a/src/QEQ/fix_qeq_point.cpp b/src/QEQ/fix_qeq_point.cpp index 37194ba25a0f2e165a541535c0e8fb2893cb63ef..2f9e31c2b3d655e74bd603d23df4e40fc1f63330 100644 --- a/src/QEQ/fix_qeq_point.cpp +++ b/src/QEQ/fix_qeq_point.cpp @@ -51,7 +51,7 @@ void FixQEqPoint::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/point group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/QEQ/fix_qeq_shielded.cpp b/src/QEQ/fix_qeq_shielded.cpp index 0b6bfed0efd455a50144d830086b4f5c0eda1d09..394f457dc51194212312feca06de5774a978a94e 100644 --- a/src/QEQ/fix_qeq_shielded.cpp +++ b/src/QEQ/fix_qeq_shielded.cpp @@ -51,7 +51,7 @@ void FixQEqShielded::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/shielded group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 1; diff --git a/src/QEQ/fix_qeq_slater.cpp b/src/QEQ/fix_qeq_slater.cpp index acf3cc9f65060fded123d204af075be3bf846aad..7c77c696e8db262a44b71943f40371110ede0517 100644 --- a/src/QEQ/fix_qeq_slater.cpp +++ b/src/QEQ/fix_qeq_slater.cpp @@ -68,7 +68,7 @@ void FixQEqSlater::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/slater group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/REAX/pair_reax.cpp b/src/REAX/pair_reax.cpp index f73973ac66b0920511a57322bd3d653767339cc6..dbf271131dc18eed6c4335fd54204b1e44a933b3 100644 --- a/src/REAX/pair_reax.cpp +++ b/src/REAX/pair_reax.cpp @@ -562,7 +562,7 @@ void PairREAX::init_style() if (strcmp(update->unit_style,"real") != 0 && comm->me == 0) error->warning(FLERR,"Not using real units with pair reax"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->newton = 2; FORTRAN(readc, READC)(); diff --git a/src/SNAP/compute_sna_atom.cpp b/src/SNAP/compute_sna_atom.cpp index 15640c5f7c26537349f9dadec42a903fa8796112..128eca00a9a3e8562f9fa3af35c4c3e2649e49c6 100644 --- a/src/SNAP/compute_sna_atom.cpp +++ b/src/SNAP/compute_sna_atom.cpp @@ -147,7 +147,7 @@ void ComputeSNAAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/SNAP/compute_snad_atom.cpp b/src/SNAP/compute_snad_atom.cpp index cb0f9e045c6f1d099e8108c839f9d93b4473b953..51b0d5842a4cc3bc653053f813fe89fced7850d1 100644 --- a/src/SNAP/compute_snad_atom.cpp +++ b/src/SNAP/compute_snad_atom.cpp @@ -141,7 +141,7 @@ void ComputeSNADAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/SNAP/compute_snav_atom.cpp b/src/SNAP/compute_snav_atom.cpp index 4e1eaf130daca7baf19e6a3d87b83cdd53508e5c..6394321eb46f198d27ecec9afa253fc42d21436a 100644 --- a/src/SNAP/compute_snav_atom.cpp +++ b/src/SNAP/compute_snav_atom.cpp @@ -144,7 +144,7 @@ void ComputeSNAVAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp index 7440630bc7146ee15b863154907fef6c6f84ac48..f7f15593ec10ff45c0f6fb0a142e9112c9c5feb7 100644 --- a/src/SNAP/pair_snap.cpp +++ b/src/SNAP/pair_snap.cpp @@ -1453,7 +1453,7 @@ void PairSNAP::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/USER-ATC/fix_atc.cpp b/src/USER-ATC/fix_atc.cpp index 12d4a7c28dc51e84d60a3d296ee428a972e7672e..ebf2b96088db6f8a1999a3ec93b577d7c7e71839 100644 --- a/src/USER-ATC/fix_atc.cpp +++ b/src/USER-ATC/fix_atc.cpp @@ -564,7 +564,7 @@ int FixATC::modify_param(int narg, char** arg) void FixATC::init() { // Guarantee construction of full neighborlist - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-AWPMD/pair_awpmd_cut.cpp b/src/USER-AWPMD/pair_awpmd_cut.cpp index e9e763b84f645dd21c0a98fd01a5154d386e0872..9813c15d59f8262aa9587e3b2c732bdd51f837ae 100644 --- a/src/USER-AWPMD/pair_awpmd_cut.cpp +++ b/src/USER-AWPMD/pair_awpmd_cut.cpp @@ -548,7 +548,7 @@ void PairAWPMDCut::init_style() // need a half neigh list and optionally a granular history neigh list - //int irequest = neighbor->request(this); + //int irequest = neighbor->request(this,instance_me); //if (atom->tag_enable == 0) // error->all(FLERR,"Pair style reax requires atom IDs"); @@ -559,7 +559,7 @@ void PairAWPMDCut::init_style() //if (strcmp(update->unit_style,"real") != 0 && comm->me == 0) //error->warning(FLERR,"Not using real units with pair reax"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->newton = 2; if(force->e_mass==0. || force->hhmrr2e==0. || force->mvh2r==0.) diff --git a/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp b/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp index fd1cae0099c8746f98c46b202a9c63c8c4fba31c..591a81fe53c545fc1bd005ea23c307b507d43b73 100644 --- a/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp +++ b/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp @@ -361,7 +361,7 @@ void PairLJSDKCoulLong::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/USER-CUDA/pair_born_coul_long_cuda.cpp b/src/USER-CUDA/pair_born_coul_long_cuda.cpp index ad0b4caac9022a5cb93cb831d097da00ad23e64f..d01a5bf47fbad88ec88b782dc29677f5672d4619 100644 --- a/src/USER-CUDA/pair_born_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_born_coul_long_cuda.cpp @@ -138,7 +138,7 @@ void PairBornCoulLongCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp b/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp index 5259b0c50d4ff941d9e3851208f2117ed39338dc..4291b82752239bdcd2b950ef52fc00b5ba48b70b 100644 --- a/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp @@ -131,7 +131,7 @@ void PairBuckCoulCutCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_buck_coul_long_cuda.cpp b/src/USER-CUDA/pair_buck_coul_long_cuda.cpp index ce9ed568f2f2ee2697b8d37edbe648f950f55eb8..8c8d667165f3f225d3044104c949f6f541ae9878 100644 --- a/src/USER-CUDA/pair_buck_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_buck_coul_long_cuda.cpp @@ -136,7 +136,7 @@ void PairBuckCoulLongCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_buck_cuda.cpp b/src/USER-CUDA/pair_buck_cuda.cpp index e42176cae64e937cfb37bd57b2c66264e8749b25..bcb9314c5fecf3b6e4ece5d7cf4a2dfd54d71552 100644 --- a/src/USER-CUDA/pair_buck_cuda.cpp +++ b/src/USER-CUDA/pair_buck_cuda.cpp @@ -128,7 +128,7 @@ void PairBuckCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_eam_cuda.cpp b/src/USER-CUDA/pair_eam_cuda.cpp index 5146500690a0d6211a8eb3f46446f0a2b7a37321..f3dcdd16f50e89caa5eb51fcd7afea3b76ace18b 100644 --- a/src/USER-CUDA/pair_eam_cuda.cpp +++ b/src/USER-CUDA/pair_eam_cuda.cpp @@ -162,7 +162,7 @@ void PairEAMCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_gran_hooke_cuda.cpp b/src/USER-CUDA/pair_gran_hooke_cuda.cpp index ad64dbeef8d6a5fe0483e6235a1802bd7f88b6ed..88cf2a2c28dcad4c23f42b2341e419083fd291b5 100644 --- a/src/USER-CUDA/pair_gran_hooke_cuda.cpp +++ b/src/USER-CUDA/pair_gran_hooke_cuda.cpp @@ -151,7 +151,7 @@ void PairGranHookeCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->gran = 1; diff --git a/src/USER-CUDA/pair_lj96_cut_cuda.cpp b/src/USER-CUDA/pair_lj96_cut_cuda.cpp index 3f449de841243ca79caf19b12a85d77315157289..7edb722d369a79cecabf2c8ffcf78821d1d034e5 100644 --- a/src/USER-CUDA/pair_lj96_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj96_cut_cuda.cpp @@ -141,7 +141,7 @@ void PairLJ96CutCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp b/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp index f9c0a928ecc021723486e4d308fa0574df6cc272..3a0ad0e288bd5429fba1c295fbbdb5fa4d0fed89 100644 --- a/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp +++ b/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp @@ -136,7 +136,7 @@ void PairLJCharmmCoulCharmmCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp b/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp index 2b226af6b0e3fb5e52ffeb618aff5ed7d03512a4..c2f2ca871fb8c1c028ea1fbf87ea5469f406c054 100644 --- a/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp +++ b/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp @@ -131,7 +131,7 @@ void PairLJCharmmCoulCharmmImplicitCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp index 08d83d32eff69c30078851ba74795fd96c3d2006..b228bd6f418836396c820e91286a952fe15ac8f4 100644 --- a/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp @@ -141,7 +141,7 @@ void PairLJCharmmCoulLongCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp b/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp index 20ec9bd1a79c8ba248ef94f27ca7eb02e849a582..01b6dc071fa79fba0231a4d2cd13d974643d4fd1 100644 --- a/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp @@ -126,7 +126,7 @@ void PairLJClass2CoulCutCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp index c02694c4f324fd8139f32a4509125fd52e1c6636..20f257ffea3289aff29b6ad32367457b403effca 100644 --- a/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp @@ -131,7 +131,7 @@ void PairLJClass2CoulLongCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_class2_cuda.cpp b/src/USER-CUDA/pair_lj_class2_cuda.cpp index 5dfb6ed65b520229a7af47038e148eda1cdd716f..6b9f686c13776b5d4c95ee0dde65bde111b944f6 100644 --- a/src/USER-CUDA/pair_lj_class2_cuda.cpp +++ b/src/USER-CUDA/pair_lj_class2_cuda.cpp @@ -136,7 +136,7 @@ void PairLJClass2Cuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp index cf1fc7e9f0cf72fd46954bb9ffe2c5882c8b747b..3872be0d0e0ca6f4025a247d25f74244bcffcf12 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp @@ -126,7 +126,7 @@ void PairLJCutCoulCutCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp index 790565324eec9edd836aaa93878c61bc90e82a96..43bcce68c9924a5d6a417640b5323dabb8f94f4f 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp @@ -127,7 +127,7 @@ void PairLJCutCoulDebyeCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp index 4185ba3a81de5433a60c060463c4517239a1cab3..52397f94290dfcd18f39fe2c07cb3777b43c78ee 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp @@ -135,26 +135,26 @@ void PairLJCutCoulLongCuda::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; @@ -163,7 +163,7 @@ void PairLJCutCoulLongCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_cuda.cpp b/src/USER-CUDA/pair_lj_cut_cuda.cpp index 34fbdfdf7322303e2f59fbe8f4db0e8118af7d38..a5d4f47a51d94d1b38b677527f631794a4288b72 100644 --- a/src/USER-CUDA/pair_lj_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_cuda.cpp @@ -141,7 +141,7 @@ void PairLJCutCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp b/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp index 4700d609a52ae036dd76f8ad2d9670db8752a392..f60aaa6f382b664c0ebd8bfcb88bd599822a15ba 100644 --- a/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp @@ -140,7 +140,7 @@ void PairLJCutExperimentalCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_expand_cuda.cpp b/src/USER-CUDA/pair_lj_expand_cuda.cpp index 6d3680a5b9eafac1bb6512dc2a7235d99bcde276..a102dea75ab71737d8cc87fce223095233ceac40 100644 --- a/src/USER-CUDA/pair_lj_expand_cuda.cpp +++ b/src/USER-CUDA/pair_lj_expand_cuda.cpp @@ -143,7 +143,7 @@ void PairLJExpandCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp b/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp index 96973daacda623ec345354ea05ad699f6c4b1315..73df6a66cb4db1aa1e6d1dba823aeba1894d0c57 100644 --- a/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp +++ b/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp @@ -146,7 +146,7 @@ void PairLJGromacsCoulGromacsCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_gromacs_cuda.cpp b/src/USER-CUDA/pair_lj_gromacs_cuda.cpp index 6a0f965b20b4758689b5b91d73437c2c3d9ed0f1..b2786d81abd923f546c3648621f4970da3a6ba57 100644 --- a/src/USER-CUDA/pair_lj_gromacs_cuda.cpp +++ b/src/USER-CUDA/pair_lj_gromacs_cuda.cpp @@ -142,7 +142,7 @@ void PairLJGromacsCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp index f953ed0df64ec6feb0ea908f32f1f267b0f09b61..aca0f6d01349bea6bae6006e1e467aeab254719f 100644 --- a/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp @@ -155,7 +155,7 @@ void PairLJSDKCoulLongCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_sdk_cuda.cpp b/src/USER-CUDA/pair_lj_sdk_cuda.cpp index f3c9f39cf339bee654c84b5a8145f40649499654..f6eba1ba7b2352b60e1952a61fedac5fc3abcb3f 100644 --- a/src/USER-CUDA/pair_lj_sdk_cuda.cpp +++ b/src/USER-CUDA/pair_lj_sdk_cuda.cpp @@ -150,7 +150,7 @@ void PairLJSDKCuda::init_style() { MYDBG(printf("# CUDA PairLJSDKCuda::init_style start\n"); ) - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_smooth_cuda.cpp b/src/USER-CUDA/pair_lj_smooth_cuda.cpp index 89f4cc4b722e4c2ca57a5beaf7624cf298c186c9..3a51e94fef13c3b164360ecaa84650b202fad527 100644 --- a/src/USER-CUDA/pair_lj_smooth_cuda.cpp +++ b/src/USER-CUDA/pair_lj_smooth_cuda.cpp @@ -142,7 +142,7 @@ void PairLJSmoothCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_morse_cuda.cpp b/src/USER-CUDA/pair_morse_cuda.cpp index 6b39ccb08b6dede90774dd82aa9be30d31040147..a38712aabe36eb8580ceaa14e0ece73eb3826162 100644 --- a/src/USER-CUDA/pair_morse_cuda.cpp +++ b/src/USER-CUDA/pair_morse_cuda.cpp @@ -140,7 +140,7 @@ void PairMorseCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_sw_cuda.cpp b/src/USER-CUDA/pair_sw_cuda.cpp index 534e14599e1033e50e6fd25d8af12307dcc57f22..1dfccc4e7b5485f94546ad22054729514026f8cf 100644 --- a/src/USER-CUDA/pair_sw_cuda.cpp +++ b/src/USER-CUDA/pair_sw_cuda.cpp @@ -168,7 +168,7 @@ void PairSWCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_tersoff_cuda.cpp b/src/USER-CUDA/pair_tersoff_cuda.cpp index 2d0aadb54179773662e9842e4ef9f9db76f6fbf5..f22b5512845fd23cb124423f13e3d0c6ccb1f1d9 100644 --- a/src/USER-CUDA/pair_tersoff_cuda.cpp +++ b/src/USER-CUDA/pair_tersoff_cuda.cpp @@ -165,7 +165,7 @@ void PairTersoffCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-EFF/pair_eff_cut.cpp b/src/USER-EFF/pair_eff_cut.cpp index 06b5962316341900d648a66fbdd0ff34acc7c94d..d8635c10a9494b66adde0920cb9e6ab9a720c4d8 100644 --- a/src/USER-EFF/pair_eff_cut.cpp +++ b/src/USER-EFF/pair_eff_cut.cpp @@ -878,7 +878,7 @@ void PairEffCut::init_style() // need a half neigh list and optionally a granular history neigh list - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-FEP/pair_coul_cut_soft.cpp b/src/USER-FEP/pair_coul_cut_soft.cpp index 831f212c70f8950055debef33463bac787aacc2b..dbb63f19a261718f5ee22932029da4ef9d43f389 100644 --- a/src/USER-FEP/pair_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_coul_cut_soft.cpp @@ -215,7 +215,7 @@ void PairCoulCutSoft::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/cut/soft requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-FEP/pair_coul_long_soft.cpp b/src/USER-FEP/pair_coul_long_soft.cpp index d396744005d22bd545e750a24e7220dcba1b331e..be1d9a246c5505d623567300a4111833d7b46ca2 100644 --- a/src/USER-FEP/pair_coul_long_soft.cpp +++ b/src/USER-FEP/pair_coul_long_soft.cpp @@ -233,7 +233,7 @@ void PairCoulLongSoft::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp index 3ba892c1e11a1cd542eb18b6f2f00f63e5a376e9..ee24b36959707b28189ef0ccd4bdf661a5a428c8 100644 --- a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp @@ -696,32 +696,32 @@ void PairLJCharmmCoulLongSoft::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // require cut_lj_inner < cut_lj diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp index ac2e4b4af572ebf61a1073ceb94f74b76b7f20f4..bf903072a84e47cc569769368310a0feceaa6178 100644 --- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp @@ -267,7 +267,7 @@ void PairLJCutCoulCutSoft::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/cut/soft requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp index 5b6053521899faf53b9ad4958f05b91b8d7df07a..516fdbf898364b49ebf33735988d796cd8215846 100644 --- a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp @@ -637,32 +637,32 @@ void PairLJCutCoulLongSoft::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/USER-FEP/pair_lj_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_soft.cpp index 8ec4a002fc7374959ed03e385745e651b2c43f63..6329c2608f78c773044be6623f47a2fd81b9af0e 100644 --- a/src/USER-FEP/pair_lj_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_soft.cpp @@ -516,32 +516,32 @@ void PairLJCutSoft::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // set rRESPA cutoffs diff --git a/src/USER-MISC/compute_ackland_atom.cpp b/src/USER-MISC/compute_ackland_atom.cpp index df5161e75e7b27948012a836b0d682e7429bf3f9..d768074aaa8c7a4ef557670dea18b97df6e2548b 100644 --- a/src/USER-MISC/compute_ackland_atom.cpp +++ b/src/USER-MISC/compute_ackland_atom.cpp @@ -71,7 +71,7 @@ void ComputeAcklandAtom::init() { // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-MISC/compute_basal_atom.cpp b/src/USER-MISC/compute_basal_atom.cpp index 6052642eb823369729eecdd34c19f562a78522e0..85a08d1838997e6d03bd2fed90bd9d8d015679dc 100644 --- a/src/USER-MISC/compute_basal_atom.cpp +++ b/src/USER-MISC/compute_basal_atom.cpp @@ -69,7 +69,7 @@ void ComputeBasalAtom::init() { // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-MISC/pair_coul_diel.cpp b/src/USER-MISC/pair_coul_diel.cpp index 67c09e9b4f6678420858fe26353765ec4117edff..a846aa53c647d38204c9d7fe750194334f190beb 100644 --- a/src/USER-MISC/pair_coul_diel.cpp +++ b/src/USER-MISC/pair_coul_diel.cpp @@ -219,7 +219,7 @@ void PairCoulDiel::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/diel requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-MISC/pair_edip.cpp b/src/USER-MISC/pair_edip.cpp index e9a83ededc4127b437cf5e3a170ada8d0c269743..c6eceb0caca7b9947206d2c29df8f45db3bb9448 100755 --- a/src/USER-MISC/pair_edip.cpp +++ b/src/USER-MISC/pair_edip.cpp @@ -840,7 +840,7 @@ void PairEDIP::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp index f81a0062a907cbb13505a4ebb33befc2d120aee6..58d7f4d61d2530d766fba4dbdf9e0c6d215b2c0a 100755 --- a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp +++ b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp @@ -394,7 +394,7 @@ void PairLJSFDipoleSF::init_style() if (!atom->q_flag || !atom->mu_flag || !atom->torque_flag) error->all(FLERR,"Pair dipole/sf requires atom attributes q, mu, torque"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-MISC/pair_meam_spline.cpp b/src/USER-MISC/pair_meam_spline.cpp index be0a8fdff889ffd509eebadacabd2581ddc7c22c..26cd70509df1c3d51fd1339b283d0b8d4ff63e09 100644 --- a/src/USER-MISC/pair_meam_spline.cpp +++ b/src/USER-MISC/pair_meam_spline.cpp @@ -495,11 +495,11 @@ void PairMEAMSpline::init_style() error->all(FLERR,"Pair style meam/spline requires newton pair on"); // Need both full and half neighbor list. - int irequest_full = neighbor->request(this); + int irequest_full = neighbor->request(this,instance_me); neighbor->requests[irequest_full]->id = 1; neighbor->requests[irequest_full]->half = 0; neighbor->requests[irequest_full]->full = 1; - int irequest_half = neighbor->request(this); + int irequest_half = neighbor->request(this,instance_me); neighbor->requests[irequest_half]->id = 2; neighbor->requests[irequest_half]->half = 0; neighbor->requests[irequest_half]->half_from_full = 1; diff --git a/src/USER-MISC/pair_meam_sw_spline.cpp b/src/USER-MISC/pair_meam_sw_spline.cpp index 9c275b9d4df31dd3155e727a6647ccf1d303da6b..30613afab623cf98c9f851d1e0b8ff1db14a018c 100644 --- a/src/USER-MISC/pair_meam_sw_spline.cpp +++ b/src/USER-MISC/pair_meam_sw_spline.cpp @@ -531,11 +531,11 @@ void PairMEAMSWSpline::init_style() error->all(FLERR,"Pair style meam/sw/spline requires newton pair on"); // Need both full and half neighbor list. - int irequest_full = neighbor->request(this); + int irequest_full = neighbor->request(this,instance_me); neighbor->requests[irequest_full]->id = 1; neighbor->requests[irequest_full]->half = 0; neighbor->requests[irequest_full]->full = 1; - int irequest_half = neighbor->request(this); + int irequest_half = neighbor->request(this,instance_me); neighbor->requests[irequest_half]->id = 2; neighbor->requests[irequest_half]->half = 0; neighbor->requests[irequest_half]->half_from_full = 1; diff --git a/src/USER-MISC/pair_srp.cpp b/src/USER-MISC/pair_srp.cpp index f32dc96e010353cddd9920711490ad6233bcbadb..ec7730a1f210043df899a7965772e20b3d57bf4a 100644 --- a/src/USER-MISC/pair_srp.cpp +++ b/src/USER-MISC/pair_srp.cpp @@ -457,7 +457,7 @@ void PairSRP::init_style() if (me == 0) error->message(FLERR,"Thermo normalization turned off by pair srp"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp index 1652385fcf64f2086c9f2c372158e213c4edffbf..69c5057cea60e88be4f169c23533289bbaedc64f 100644 --- a/src/USER-MISC/pair_tersoff_table.cpp +++ b/src/USER-MISC/pair_tersoff_table.cpp @@ -821,7 +821,7 @@ void PairTersoffTable::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/USER-OMP/fix_peri_neigh_omp.cpp b/src/USER-OMP/fix_peri_neigh_omp.cpp index 2aba2665ba77b179f2adfb2c9320291cd11e5fcf..a5f78a719329eb45be3a1214817c00f0f2a41d5b 100644 --- a/src/USER-OMP/fix_peri_neigh_omp.cpp +++ b/src/USER-OMP/fix_peri_neigh_omp.cpp @@ -40,7 +40,7 @@ void FixPeriNeighOMP::init() // need a full neighbor list once - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-OMP/fix_qeq_comb_omp.cpp b/src/USER-OMP/fix_qeq_comb_omp.cpp index 09a0f598afcde8dbe9b1c0faa5233504199a5e9c..7b2be715d3c2d6231d57422623445bfb2b4c2c90 100644 --- a/src/USER-OMP/fix_qeq_comb_omp.cpp +++ b/src/USER-OMP/fix_qeq_comb_omp.cpp @@ -77,7 +77,7 @@ void FixQEQCombOMP::init() if (fix->get_neighbor()) use_omp = 1; } - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->omp = use_omp; } diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp index c6045bfe52685021d03aa71332d02c528de6d308..dfcd16316e5989cb973d26d30368858992ff9171 100644 --- a/src/USER-REAXC/fix_qeq_reax.cpp +++ b/src/USER-REAXC/fix_qeq_reax.cpp @@ -339,7 +339,7 @@ void FixQEqReax::init() // need a half neighbor list w/ Newton off and ghost neighbors // built whenever re-neighboring occurs - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->newton = 2; diff --git a/src/USER-REAXC/pair_reax_c.cpp b/src/USER-REAXC/pair_reax_c.cpp index a0f7045961bb9d896da895f99735d526e3452e77..277d31ccf1d90777b1141edd46598b42e42fd7a2 100644 --- a/src/USER-REAXC/pair_reax_c.cpp +++ b/src/USER-REAXC/pair_reax_c.cpp @@ -359,7 +359,7 @@ void PairReaxC::init_style( ) // need a half neighbor list w/ Newton off and ghost neighbors // built whenever re-neighboring occurs - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->newton = 2; neighbor->requests[irequest]->ghost = 1; diff --git a/src/USER-SPH/pair_sph_rhosum.cpp b/src/USER-SPH/pair_sph_rhosum.cpp index c4b4a8e115821c754279309d721b3938fb385f47..db0749b2a2802b902c9b79cd1232bd595147d9d3 100644 --- a/src/USER-SPH/pair_sph_rhosum.cpp +++ b/src/USER-SPH/pair_sph_rhosum.cpp @@ -56,7 +56,7 @@ PairSPHRhoSum::~PairSPHRhoSum() { void PairSPHRhoSum::init_style() { // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/compute_centro_atom.cpp b/src/compute_centro_atom.cpp index a7f3e9fef069e4e391f9b720d4d1a6593d2b0321..0676ad0a4a6d9d753c07e2039a37c9ab90230335 100644 --- a/src/compute_centro_atom.cpp +++ b/src/compute_centro_atom.cpp @@ -80,7 +80,7 @@ void ComputeCentroAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index 993a7dee78ab436d12d4a167f95301c1023fc14e..343a0dd1bd4a56d474bbd609aacbe66fa5e358fd 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -71,7 +71,7 @@ void ComputeClusterAtom::init() // need an occasional full neighbor list // full required so that pair of atoms on 2 procs both set their clusterID - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp index 405f17b02752cf677110a77f4e67e563bd8f156b..2bf33fec3d3aeb43ce21e0df66c63ba06c4e1345 100644 --- a/src/compute_cna_atom.cpp +++ b/src/compute_cna_atom.cpp @@ -92,7 +92,7 @@ void ComputeCNAAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_contact_atom.cpp b/src/compute_contact_atom.cpp index 5104dd0c191f273afd552e2264809036cc3a6c03..8db5c3e4bd1f603368a8d808d1ea14132cfa3ce6 100644 --- a/src/compute_contact_atom.cpp +++ b/src/compute_contact_atom.cpp @@ -71,7 +71,7 @@ void ComputeContactAtom::init() // need an occasional neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->gran = 1; neighbor->requests[irequest]->pair = 0; diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index 4efcae835641386edc6637e0653a06fbe56f93bc..beb03812b08f5adb0f0f175122405d5b70c809ca 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -91,7 +91,7 @@ void ComputeCoordAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp index 22140f4497dd08bfadae9c92920f08db952b8753..900af68528cd0639618c398fdfa021501a7b905d 100644 --- a/src/compute_group_group.cpp +++ b/src/compute_group_group.cpp @@ -150,7 +150,7 @@ void ComputeGroupGroup::init() // need an occasional half neighbor list if (pairflag) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index 0f138d531b80929b85d14d3dba66cc75ca888828..55a87bfb95ba8471bc822f901492f15de693e21c 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -101,7 +101,7 @@ void ComputePairLocal::init() // need an occasional half neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/compute_property_local.cpp b/src/compute_property_local.cpp index 7746420c10c77364b478f9a02b5fd646f54b8c3a..c08d723cb28d2303954bd9d6ddf5e7820eca3017 100644 --- a/src/compute_property_local.cpp +++ b/src/compute_property_local.cpp @@ -260,7 +260,7 @@ void ComputePropertyLocal::init() // for NEIGH/PAIR need an occasional half neighbor list if (kindflag == NEIGH || kindflag == PAIR) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index 0893d02328b53e9bb270b75bed4ddae0aee555d1..7c5f433bb52cff29f636fe651b0c1eeb5581d85e 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -160,7 +160,7 @@ void ComputeRDF::init() // need an occasional half neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/pair_born_coul_wolf.cpp b/src/pair_born_coul_wolf.cpp index 6829401926a3642a45ddc98bb13519520d9facfe..086d9ee576c900f23bd8c0d54c317d2a8aacbcda 100644 --- a/src/pair_born_coul_wolf.cpp +++ b/src/pair_born_coul_wolf.cpp @@ -284,7 +284,7 @@ void PairBornCoulWolf::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style born/coul/wolf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; } diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp index ed5a24df022eb2223828d427349cf60aeaee0a39..0faf6a6f426f0ed126ab81682d96be5b577dd760 100644 --- a/src/pair_buck_coul_cut.cpp +++ b/src/pair_buck_coul_cut.cpp @@ -262,7 +262,7 @@ void PairBuckCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style buck/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp index cd893a0d97b865c186b9a1ddefe4b05e780777e1..4a54f2f2a8bb3e0b8310b923286c2bb9333948a6 100644 --- a/src/pair_coul_cut.cpp +++ b/src/pair_coul_cut.cpp @@ -200,7 +200,7 @@ void PairCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_coul_dsf.cpp b/src/pair_coul_dsf.cpp index 09550cae114663709e13761c1089fed9828e5f2c..0aba5548db547324e2a6810004a4ad3659e873da 100644 --- a/src/pair_coul_dsf.cpp +++ b/src/pair_coul_dsf.cpp @@ -207,7 +207,7 @@ void PairCoulDSF::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/dsf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; double erfcc = erfc(alpha*cut_coul); diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp index 250a8bb1d4eaa6b86c11cf81d92487ba095edea8..799b672a4e0c6b2449a6ff4045833129d7bad7af 100644 --- a/src/pair_coul_wolf.cpp +++ b/src/pair_coul_wolf.cpp @@ -210,7 +210,7 @@ void PairCoulWolf::init_style() if (!atom->q_flag) error->all(FLERR,"Pair coul/wolf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul*cut_coul; } diff --git a/src/pair_dpd.cpp b/src/pair_dpd.cpp index c4da8efbe7b79e6d9448bf40acdf1dcd45f5f1d6..87af68d7fa8ce696484fac0943907e44859b2514 100644 --- a/src/pair_dpd.cpp +++ b/src/pair_dpd.cpp @@ -257,7 +257,7 @@ void PairDPD::init_style() if (force->newton_pair == 0 && comm->me == 0) error->warning(FLERR, "Pair dpd needs newton pair on for momentum conservation"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp index 7e61b0158372cb0bd81b63a44737382612b3f3da..d5e24be739e2f3f288572dc7fe65d90577b5c07b 100644 --- a/src/pair_lj96_cut.cpp +++ b/src/pair_lj96_cut.cpp @@ -496,32 +496,32 @@ void PairLJ96Cut::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // set rRESPA cutoffs diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp index f3ee3d4a49696787243de6d26d4324a8a8844534..65e7aef5e251be8f1bbc2bfa3a334caed2dd2fc7 100644 --- a/src/pair_lj_cut_coul_cut.cpp +++ b/src/pair_lj_cut_coul_cut.cpp @@ -252,7 +252,7 @@ void PairLJCutCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp index 1fac1ef44f1faaac2e8092bd169bc6e8e3815f3c..4d3cbd9a45fc144cb33c7fe4b98383529a195847 100644 --- a/src/pair_lj_cut_coul_dsf.cpp +++ b/src/pair_lj_cut_coul_dsf.cpp @@ -268,7 +268,7 @@ void PairLJCutCoulDSF::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/dsf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; double erfcc = erfc(alpha*cut_coul); diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp index fb7e36f9255c5a1be2a8ddece393ce7083f90eee..5a78c4e140c3f6698fc58c466707e67f74828d40 100644 --- a/src/pair_lj_gromacs_coul_gromacs.cpp +++ b/src/pair_lj_gromacs_coul_gromacs.cpp @@ -274,7 +274,7 @@ void PairLJGromacsCoulGromacs::init_style() error->all(FLERR, "Pair style lj/gromacs/coul/gromacs requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_lj_innersq = cut_lj_inner * cut_lj_inner; cut_ljsq = cut_lj * cut_lj; diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp index 7657388d1fc446d25cb4942bedc6697f5bae2cd8..0f7cb5eabeb1f00af7fcfd8ba4c7c2080c894748 100644 --- a/src/pair_mie_cut.cpp +++ b/src/pair_mie_cut.cpp @@ -505,32 +505,32 @@ void PairMIECut::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // set rRESPA cutoffs diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp index 0adef4f40b674d2b9187638dca111295ac8c1dd6..5c2f7c4fc2c485938b1c6f964bb1765720e6d69c 100644 --- a/src/pair_zbl.cpp +++ b/src/pair_zbl.cpp @@ -236,7 +236,7 @@ void PairZBL::coeff(int narg, char **arg) void PairZBL::init_style() { - neighbor->request(this); + neighbor->request(this,instance_me); cut_innersq = cut_inner * cut_inner; cut_globalsq = cut_global * cut_global;