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/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dnbin.cpp114 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 …]
H A Dnpair.cpp75 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()
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H A Dreset_atom_ids.cpp294 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()
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H A Ddomain.cpp2101 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()
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H A Dcreate_atoms.cpp748 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()
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H A Dfix_recenter.cpp160 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()
H A Dnbin_standard.cpp113 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()
H A Datom.cpp2195 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()
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H A Dnbin_multi.cpp185 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()
H A Drcb.cpp110 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()
H A Dnbin.h74 double *bboxlo, *bboxhi; variable
H A Drcb.h118 double bboxhi[3]; variable
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddomain.cpp1681 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 …]
H A Dcreate_atoms.cpp484 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()
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H A Dregion_neighbor_list_I.h415 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()
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H A Dneighbor.cpp280 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 …]
H A Datom.cpp1448 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/SHOCK/
H A Dfix_append_atoms.cpp426 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dnpair_ssa_kokkos.h168 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()
H A Dnpair_kokkos.h210 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()
H A Dnbin_kokkos.cpp104 bboxhi_[0] = bboxhi[0]; bboxhi_[1] = bboxhi[1]; bboxhi_[2] = bboxhi[2]; in bin_atoms()
H A Dneighbor_kokkos.cpp177 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()
H A Dnbin_ssa_kokkos.cpp120 bboxhi_[0] = bboxhi[0]; bboxhi_[1] = bboxhi[1]; bboxhi_[2] = bboxhi[2]; in bin_atoms()
/dports/science/lammps/lammps-stable_29Sep2021/src/DPD-REACT/
H A Dnbin_ssa.cpp61 bboxhi_[0] = bboxhi[0]; bboxhi_[1] = bboxhi[1]; bboxhi_[2] = bboxhi[2]; in bin_atoms()
/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/
H A Dnbin_intel.cpp161 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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