/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | nbin.cpp | 114 bboxhi = neighbor->bboxhi; in copy_neighbor_info() 146 if (x[0] >= bboxhi[0]) in coord2bin() 147 ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx) + nbinx; in coord2bin() 154 if (x[1] >= bboxhi[1]) in coord2bin() 155 iy = static_cast<int> ((x[1]-bboxhi[1])*bininvy) + nbiny; in coord2bin() 162 if (x[2] >= bboxhi[2]) in coord2bin() 163 iz = static_cast<int> ((x[2]-bboxhi[2])*bininvz) + nbinz; in coord2bin() 186 if (x[0] >= bboxhi[0]) in coord2bin_multi() 187 ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx_multi[ic]) + nbinx_multi[ic]; in coord2bin_multi() 194 if (x[1] >= bboxhi[1]) in coord2bin_multi() [all …]
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H A D | npair.cpp | 75 bboxhi = neighbor->bboxhi; in copy_neighbor_info() 239 if (x[0] >= bboxhi[0]) in coord2bin() 240 ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx) + nbinx; in coord2bin() 247 if (x[1] >= bboxhi[1]) in coord2bin() 248 iy = static_cast<int> ((x[1]-bboxhi[1])*bininvy) + nbiny; in coord2bin() 255 if (x[2] >= bboxhi[2]) in coord2bin() 256 iz = static_cast<int> ((x[2]-bboxhi[2])*bininvz) + nbinz; in coord2bin() 282 if (x[0] >= bboxhi[0]) in coord2bin() 283 ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx_multi[ic]) + nbinx_multi[ic]; in coord2bin() 290 if (x[1] >= bboxhi[1]) in coord2bin() [all …]
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H A D | reset_atom_ids.cpp | 294 double mylo[3],myhi[3],bboxlo[3],bboxhi[3]; in sort() local 333 bboxlo[0] -= 0.0001 * (bboxhi[0]-bboxlo[0]); in sort() 334 bboxlo[1] -= 0.0001 * (bboxhi[1]-bboxlo[1]); in sort() 336 bboxhi[0] += 0.0001 * (bboxhi[0]-bboxlo[0]); in sort() 337 bboxhi[1] += 0.0001 * (bboxhi[1]-bboxlo[1]); in sort() 338 bboxhi[2] += 0.0001 * (bboxhi[2]-bboxlo[2]); in sort() 347 if (dim == 2) vol = (bboxhi[0]-bboxlo[0]) * (bboxhi[1]-bboxlo[1]); in sort() 348 else vol = (bboxhi[0]-bboxlo[0]) * (bboxhi[1]-bboxlo[1]) * (bboxhi[2]-bboxlo[2]); in sort() 355 double invx = 1.0 / (bboxhi[0]-bboxlo[0]); in sort() 356 double invy = 1.0 / (bboxhi[1]-bboxlo[1]); in sort() [all …]
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H A D | domain.cpp | 2101 bboxhi[0] = bboxhi[1] = bboxhi[2] = -BIG; in bbox() 2105 bboxlo[0] = MIN(bboxlo[0],x[0]); bboxhi[0] = MAX(bboxhi[0],x[0]); in bbox() 2106 bboxlo[1] = MIN(bboxlo[1],x[1]); bboxhi[1] = MAX(bboxhi[1],x[1]); in bbox() 2107 bboxlo[2] = MIN(bboxlo[2],x[2]); bboxhi[2] = MAX(bboxhi[2],x[2]); in bbox() 2111 bboxlo[0] = MIN(bboxlo[0],x[0]); bboxhi[0] = MAX(bboxhi[0],x[0]); in bbox() 2112 bboxlo[1] = MIN(bboxlo[1],x[1]); bboxhi[1] = MAX(bboxhi[1],x[1]); in bbox() 2113 bboxlo[2] = MIN(bboxlo[2],x[2]); bboxhi[2] = MAX(bboxhi[2],x[2]); in bbox() 2117 bboxlo[0] = MIN(bboxlo[0],x[0]); bboxhi[0] = MAX(bboxhi[0],x[0]); in bbox() 2118 bboxlo[1] = MIN(bboxlo[1],x[1]); bboxhi[1] = MAX(bboxhi[1],x[1]); in bbox() 2119 bboxlo[2] = MIN(bboxlo[2],x[2]); bboxhi[2] = MAX(bboxhi[2],x[2]); in bbox() [all …]
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H A D | create_atoms.cpp | 748 double bboxlo[3],bboxhi[3]; in add_lattice() local 768 if (rxmin > bboxlo[0]) bboxlo[0] = (rxmin > bboxhi[0]) ? bboxhi[0] : rxmin; in add_lattice() 769 if (rxmax < bboxhi[0]) bboxhi[0] = (rxmax < bboxlo[0]) ? bboxlo[0] : rxmax; in add_lattice() 770 if (rymin > bboxlo[1]) bboxlo[1] = (rymin > bboxhi[1]) ? bboxhi[1] : rymin; in add_lattice() 771 if (rymax < bboxhi[1]) bboxhi[1] = (rymax < bboxlo[1]) ? bboxlo[1] : rymax; in add_lattice() 772 if (rzmin > bboxlo[2]) bboxlo[2] = (rzmin > bboxhi[2]) ? bboxhi[2] : rzmin; in add_lattice() 773 if (rzmax < bboxhi[2]) bboxhi[2] = (rzmax < bboxlo[2]) ? bboxlo[2] : rzmax; in add_lattice() 787 domain->lattice->bbox(1,bboxhi[0],bboxhi[1],bboxlo[2], in add_lattice() 791 domain->lattice->bbox(1,bboxhi[0],bboxlo[1],bboxhi[2], in add_lattice() 793 domain->lattice->bbox(1,bboxlo[0],bboxhi[1],bboxhi[2], in add_lattice() [all …]
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H A D | fix_recenter.cpp | 160 double *bboxlo,*bboxhi; in initial_integrate() local 165 bboxhi = domain->boxhi; in initial_integrate() 168 bboxhi = domain->boxhi_bound; in initial_integrate() 174 xtarget = bboxlo[0] + xcom*(bboxhi[0] - bboxlo[0]); in initial_integrate() 179 ytarget = bboxlo[1] + ycom*(bboxhi[1] - bboxlo[1]); in initial_integrate() 184 ztarget = bboxlo[2] + zcom*(bboxhi[2] - bboxlo[2]); in initial_integrate()
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H A D | nbin_standard.cpp | 113 bbox[0] = bboxhi[0] - bboxlo[0]; in setup_bins() 114 bbox[1] = bboxhi[1] - bboxlo[1]; in setup_bins() 115 bbox[2] = bboxhi[2] - bboxlo[2]; in setup_bins()
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H A D | atom.cpp | 2195 bboxhi[0] = domain->subhi[0]; in setup_sort_bins() 2196 bboxhi[1] = domain->subhi[1]; in setup_sort_bins() 2197 bboxhi[2] = domain->subhi[2]; in setup_sort_bins() 2200 nbinx = static_cast<int> ((bboxhi[0]-bboxlo[0]) * bininv); in setup_sort_bins() 2201 nbiny = static_cast<int> ((bboxhi[1]-bboxlo[1]) * bininv); in setup_sort_bins() 2209 bininvx = nbinx / (bboxhi[0]-bboxlo[0]); in setup_sort_bins() 2210 bininvy = nbiny / (bboxhi[1]-bboxlo[1]); in setup_sort_bins() 2211 bininvz = nbinz / (bboxhi[2]-bboxlo[2]); in setup_sort_bins() 2225 double nxbbox = neighbor->bboxhi[0] - nx_low; in setup_sort_bins() 2226 double nybbox = neighbor->bboxhi[1] - ny_low; in setup_sort_bins() [all …]
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H A D | nbin_multi.cpp | 185 bbox[0] = bboxhi[0] - bboxlo[0]; in setup_bins() 186 bbox[1] = bboxhi[1] - bboxlo[1]; in setup_bins() 187 bbox[2] = bboxhi[2] - bboxlo[2]; in setup_bins()
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H A D | rcb.cpp | 110 double *bboxlo, double *bboxhi) in compute() argument 157 hi[0] = bboxhi[0]; in compute() 158 hi[1] = bboxhi[1]; in compute() 159 hi[2] = bboxhi[2]; in compute() 647 double *bboxlo, double *bboxhi) in compute_old() argument 694 hi[0] = bboxhi[0]; in compute_old() 695 hi[1] = bboxhi[1]; in compute_old() 696 hi[2] = bboxhi[2]; in compute_old()
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H A D | nbin.h | 74 double *bboxlo, *bboxhi; variable
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H A D | rcb.h | 118 double bboxhi[3]; variable
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | domain.cpp | 1681 bboxhi[0] = bboxhi[1] = bboxhi[2] = -BIG; in bbox() 1685 bboxlo[0] = MIN(bboxlo[0],x[0]); bboxhi[0] = MAX(bboxhi[0],x[0]); in bbox() 1686 bboxlo[1] = MIN(bboxlo[1],x[1]); bboxhi[1] = MAX(bboxhi[1],x[1]); in bbox() 1687 bboxlo[2] = MIN(bboxlo[2],x[2]); bboxhi[2] = MAX(bboxhi[2],x[2]); in bbox() 1691 bboxlo[0] = MIN(bboxlo[0],x[0]); bboxhi[0] = MAX(bboxhi[0],x[0]); in bbox() 1692 bboxlo[1] = MIN(bboxlo[1],x[1]); bboxhi[1] = MAX(bboxhi[1],x[1]); in bbox() 1693 bboxlo[2] = MIN(bboxlo[2],x[2]); bboxhi[2] = MAX(bboxhi[2],x[2]); in bbox() 1697 bboxlo[0] = MIN(bboxlo[0],x[0]); bboxhi[0] = MAX(bboxhi[0],x[0]); in bbox() 1698 bboxlo[1] = MIN(bboxlo[1],x[1]); bboxhi[1] = MAX(bboxhi[1],x[1]); in bbox() 1699 bboxlo[2] = MIN(bboxlo[2],x[2]); bboxhi[2] = MAX(bboxhi[2],x[2]); in bbox() [all …]
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H A D | create_atoms.cpp | 484 double bboxlo[3],bboxhi[3]; in add_lattice() local 487 bboxlo[0] = domain->sublo[0]; bboxhi[0] = domain->subhi[0]; in add_lattice() 488 bboxlo[1] = domain->sublo[1]; bboxhi[1] = domain->subhi[1]; in add_lattice() 489 bboxlo[2] = domain->sublo[2]; bboxhi[2] = domain->subhi[2]; in add_lattice() 498 domain->lattice->bbox(1,bboxhi[0],bboxlo[1],bboxlo[2], in add_lattice() 500 domain->lattice->bbox(1,bboxlo[0],bboxhi[1],bboxlo[2], in add_lattice() 502 domain->lattice->bbox(1,bboxhi[0],bboxhi[1],bboxlo[2], in add_lattice() 504 domain->lattice->bbox(1,bboxlo[0],bboxlo[1],bboxhi[2], in add_lattice() 506 domain->lattice->bbox(1,bboxhi[0],bboxlo[1],bboxhi[2], in add_lattice() 508 domain->lattice->bbox(1,bboxlo[0],bboxhi[1],bboxhi[2], in add_lattice() [all …]
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H A D | region_neighbor_list_I.h | 415 bb.getBoxBounds(bboxlo, bboxhi); in setBoundingBox() 419 bboxhi[0] == BIG || bboxhi[1] == BIG || bboxhi[2] == BIG ) in setBoundingBox() 655 if (x[0] >= bboxhi[0]) in coord2bin() 656 ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx) + nbinx; in coord2bin() 663 if (x[1] >= bboxhi[1]) in coord2bin() 664 iy = static_cast<int> ((x[1]-bboxhi[1])*bininvy) + nbiny; in coord2bin() 671 if (x[2] >= bboxhi[2]) in coord2bin() 672 iz = static_cast<int> ((x[2]-bboxhi[2])*bininvz) + nbinz; in coord2bin() 701 pos[0] >= bboxlo[0] && pos[0] <= bboxhi[0] && in isInBoundingBox() 702 pos[1] >= bboxlo[1] && pos[1] <= bboxhi[1] && in isInBoundingBox() [all …]
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H A D | neighbor.cpp | 280 bboxhi = domain->boxhi; in init() 283 bboxhi = domain->boxhi_bound; in init() 1514 boxhi_hold[0] = bboxhi[0]; in build() 1515 boxhi_hold[1] = bboxhi[1]; in build() 1516 boxhi_hold[2] = bboxhi[2]; in build() 2081 if (x[0] >= bboxhi[0]) in coord2bin() 2089 if (x[1] >= bboxhi[1]) in coord2bin() 2097 if (x[2] >= bboxhi[2]) in coord2bin() 2114 if (x[0] >= bboxhi[0]) in coord2bin() 2122 if (x[1] >= bboxhi[1]) in coord2bin() [all …]
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H A D | atom.cpp | 1448 domain->bbox(domain->sublo_lamda,domain->subhi_lamda,bboxlo,bboxhi); in setup_sort_bins() 1453 bboxhi[0] = domain->subhi[0]; in setup_sort_bins() 1454 bboxhi[1] = domain->subhi[1]; in setup_sort_bins() 1455 bboxhi[2] = domain->subhi[2]; in setup_sort_bins() 1458 nbinx = static_cast<int> ((bboxhi[0]-bboxlo[0]) * bininv); in setup_sort_bins() 1459 nbiny = static_cast<int> ((bboxhi[1]-bboxlo[1]) * bininv); in setup_sort_bins() 1460 nbinz = static_cast<int> ((bboxhi[2]-bboxlo[2]) * bininv); in setup_sort_bins() 1467 bininvx = nbinx / (bboxhi[0]-bboxlo[0]); in setup_sort_bins() 1468 bininvy = nbiny / (bboxhi[1]-bboxlo[1]); in setup_sort_bins() 1469 bininvz = nbinz / (bboxhi[2]-bboxlo[2]); in setup_sort_bins()
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/dports/science/lammps/lammps-stable_29Sep2021/src/SHOCK/ |
H A D | fix_append_atoms.cpp | 426 double bboxlo[3],bboxhi[3]; in pre_exchange() local 428 bboxlo[0] = domain->sublo[0]; bboxhi[0] = domain->subhi[0]; in pre_exchange() 429 bboxlo[1] = domain->sublo[1]; bboxhi[1] = domain->subhi[1]; in pre_exchange() 430 bboxlo[2] = domain->subhi[2]; bboxhi[2] = domain->subhi[2]+size; in pre_exchange() 438 domain->lattice->bbox(1,bboxhi[0],bboxlo[1],bboxlo[2], in pre_exchange() 440 domain->lattice->bbox(1,bboxlo[0],bboxhi[1],bboxlo[2], in pre_exchange() 442 domain->lattice->bbox(1,bboxhi[0],bboxhi[1],bboxlo[2], in pre_exchange() 444 domain->lattice->bbox(1,bboxlo[0],bboxlo[1],bboxhi[2], in pre_exchange() 446 domain->lattice->bbox(1,bboxhi[0],bboxlo[1],bboxhi[2], in pre_exchange() 448 domain->lattice->bbox(1,bboxlo[0],bboxhi[1],bboxhi[2], in pre_exchange() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | npair_ssa_kokkos.h | 168 X_FLOAT bboxhi[3],bboxlo[3]; variable 282 bboxhi[0] = _bboxhi[0]; bboxhi[1] = _bboxhi[1]; bboxhi[2] = _bboxhi[2]; in NPairSSAKokkosExecute() 306 if (x >= bboxhi[0]) in coord2bin() 307 ix = static_cast<int> ((x-bboxhi[0])*bininvx) + nbinx; in coord2bin() 314 if (y >= bboxhi[1]) in coord2bin() 315 iy = static_cast<int> ((y-bboxhi[1])*bininvy) + nbiny; in coord2bin() 322 if (z >= bboxhi[2]) in coord2bin() 323 iz = static_cast<int> ((z-bboxhi[2])*bininvz) + nbinz; in coord2bin()
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H A D | npair_kokkos.h | 210 X_FLOAT bboxhi[3],bboxlo[3]; variable 294 bboxhi[0] = _bboxhi[0]; bboxhi[1] = _bboxhi[1]; bboxhi[2] = _bboxhi[2]; in NeighborKokkosExecute() 331 if (x >= bboxhi[0]) in coord2bin() 332 ix = static_cast<int> ((x-bboxhi[0])*bininvx) + nbinx; in coord2bin() 339 if (y >= bboxhi[1]) in coord2bin() 340 iy = static_cast<int> ((y-bboxhi[1])*bininvy) + nbiny; in coord2bin() 347 if (z >= bboxhi[2]) in coord2bin() 348 iz = static_cast<int> ((z-bboxhi[2])*bininvz) + nbinz; in coord2bin()
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H A D | nbin_kokkos.cpp | 104 bboxhi_[0] = bboxhi[0]; bboxhi_[1] = bboxhi[1]; bboxhi_[2] = bboxhi[2]; in bin_atoms()
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H A D | neighbor_kokkos.cpp | 177 delx = bboxhi[0] - boxhi_hold[0]; in check_distance_kokkos() 178 dely = bboxhi[1] - boxhi_hold[1]; in check_distance_kokkos() 179 delz = bboxhi[2] - boxhi_hold[2]; in check_distance_kokkos() 278 boxhi_hold[0] = bboxhi[0]; in build_kokkos() 279 boxhi_hold[1] = bboxhi[1]; in build_kokkos() 280 boxhi_hold[2] = bboxhi[2]; in build_kokkos()
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H A D | nbin_ssa_kokkos.cpp | 120 bboxhi_[0] = bboxhi[0]; bboxhi_[1] = bboxhi[1]; bboxhi_[2] = bboxhi[2]; in bin_atoms()
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/dports/science/lammps/lammps-stable_29Sep2021/src/DPD-REACT/ |
H A D | nbin_ssa.cpp | 61 bboxhi_[0] = bboxhi[0]; bboxhi_[1] = bboxhi[1]; bboxhi_[2] = bboxhi[2]; in bin_atoms()
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/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
H A D | nbin_intel.cpp | 161 const flt_t dx = (INTEL_BIGP - bboxhi[0]); in bin_atoms() 162 const flt_t dy = (INTEL_BIGP - bboxhi[1]); in bin_atoms() 163 const flt_t dz = (INTEL_BIGP - bboxhi[2]); in bin_atoms()
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