/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | fix_minimize.cpp | 129 boxhi[0] = domain->boxhi[0]; in store_box() 130 boxhi[1] = domain->boxhi[1]; in store_box() 131 boxhi[2] = domain->boxhi[2]; in store_box() 185 tmp = boxhi[0]; in box_swap() 186 boxhi[0] = domain->boxhi[0]; in box_swap() 187 domain->boxhi[0] = tmp; in box_swap() 188 tmp = boxhi[1]; in box_swap() 189 boxhi[1] = domain->boxhi[1]; in box_swap() 190 domain->boxhi[1] = tmp; in box_swap() 191 tmp = boxhi[2]; in box_swap() [all …]
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H A D | domain.cpp | 148 boxhi[0] = boxhi[1] = boxhi[2] = 0.5; in Domain() 235 if (boxlo[0] >= boxhi[0] || boxlo[1] >= boxhi[1] || boxlo[2] >= boxhi[2]) in set_initial_box() 315 boxhi_bound[0] = MAX(boxhi[0],boxhi[0]+xy); in set_global_box() 317 boxhi_bound[1] = MAX(boxhi[1],boxhi[1]+yz); in set_global_box() 543 hi = boxhi; in pbc() 1054 hi = boxhi; in remap() 1143 hi = boxhi; in remap() 1539 str,boxlo[0],boxlo[1],boxlo[2],boxhi[0],boxhi[1],boxhi[2]); in print_box() 1544 str,boxlo[0],boxlo[1],boxlo[2],boxhi[0],boxhi[1],boxhi[2], in print_box() 1551 str,boxlo[0],boxlo[1],boxlo[2],boxhi[0],boxhi[1],boxhi[2]); in print_box() [all …]
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H A D | domain_I.h | 58 pos[0] >= boxlo[0] && pos[0] <= boxhi[0] && in is_in_domain() 59 pos[1] >= boxlo[1] && pos[1] <= boxhi[1] && in is_in_domain() 60 pos[2] >= boxlo[2] && pos[2] <= boxhi[2] in is_in_domain() 75 … checkhi[0] = subhi[0] + (MathExtraLiggghts::compDouble(subhi[0], boxhi[0]) ? SMALL_DMBRDR : 0.0); in is_in_subdomain() 76 … checkhi[1] = subhi[1] + (MathExtraLiggghts::compDouble(subhi[1], boxhi[1]) ? SMALL_DMBRDR : 0.0); in is_in_subdomain() 77 … checkhi[2] = subhi[2] + (MathExtraLiggghts::compDouble(subhi[2], boxhi[2]) ? SMALL_DMBRDR : 0.0); in is_in_subdomain() 177 …if ((x[idim] < (boxlo[idim]+cutneighmax) || x[idim] > (boxhi[idim]-cutneighmax)) && periodicity[id… in is_periodic_ghost()
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H A D | change_box.cpp | 278 delta = domain->boxhi[ops[m].dim] - mid; in command() 475 newvol = domain->boxhi[0] - domain->boxlo[0]; in volume_preserve() 476 newvol *= domain->boxhi[1] - domain->boxlo[1]; in volume_preserve() 478 newvol = domain->boxhi[0] - domain->boxlo[0]; in volume_preserve() 479 newvol *= domain->boxhi[1] - domain->boxlo[1]; in volume_preserve() 480 newvol *= domain->boxhi[2] - domain->boxlo[2]; in volume_preserve() 492 delta = domain->boxhi[dim1] - mid; in volume_preserve() 493 domain->boxhi[dim1] = mid + scale*delta; in volume_preserve() 502 delta = domain->boxhi[dim1] - mid; in volume_preserve() 503 domain->boxhi[dim1] = mid + sqrt(scale)*delta; in volume_preserve() [all …]
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H A D | create_box.cpp | 118 domain->boxhi[0] = domain->regions[iregion]->extent_xhi; in command() 120 domain->boxhi[1] = domain->regions[iregion]->extent_yhi; in command() 122 domain->boxhi[2] = domain->regions[iregion]->extent_zhi; in command() 134 domain->boxhi[0] = region->xhi; in command() 136 domain->boxhi[1] = region->yhi; in command() 138 domain->boxhi[2] = region->zhi; in command()
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H A D | fix_ave_spatial.cpp | 1012 double *boxlo,*boxhi,*prd; in setup_bins() local 1015 boxhi = domain->boxhi_lamda; in setup_bins() 1019 boxhi = domain->boxhi; in setup_bins() 1042 if (origin[m] < boxhi[dim[m]]) { in setup_bins() 1127 double *boxlo=NULL,*boxhi=NULL,*prd=NULL; in atom2bin1d() local 1142 boxhi = domain->boxhi_lamda; in atom2bin1d() 1146 boxhi = domain->boxhi; in atom2bin1d() 1215 boxhi = domain->boxhi_lamda; in atom2bin2d() 1219 boxhi = domain->boxhi; in atom2bin2d() 1316 boxhi = domain->boxhi_lamda; in atom2bin3d() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | fix_minimize.cpp | 95 boxhi[0] = domain->boxhi[0]; in store_box() 96 boxhi[1] = domain->boxhi[1]; in store_box() 97 boxhi[2] = domain->boxhi[2]; in store_box() 151 tmp = boxhi[0]; in box_swap() 152 boxhi[0] = domain->boxhi[0]; in box_swap() 153 domain->boxhi[0] = tmp; in box_swap() 154 tmp = boxhi[1]; in box_swap() 155 boxhi[1] = domain->boxhi[1]; in box_swap() 156 domain->boxhi[1] = tmp; in box_swap() 157 tmp = boxhi[2]; in box_swap() [all …]
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H A D | domain.cpp | 79 boxhi[0] = boxhi[1] = boxhi[2] = 0.5; in Domain() 204 if (boxlo[0] >= boxhi[0] || boxlo[1] >= boxhi[1] || boxlo[2] >= boxhi[2]) in set_initial_box() 285 boxhi_bound[0] = MAX(boxhi[0],boxhi[0]+xy); in set_global_box() 287 boxhi_bound[1] = MAX(boxhi[1],boxhi[1]+yz); in set_global_box() 556 hi = boxhi; in pbc() 661 hi = boxhi; in inside() 697 hi = boxhi; in inside_nonperiodic() 1362 hi = boxhi; in remap() 1451 hi = boxhi; in remap() 1972 boxlo[2],boxhi[0],boxhi[1],boxhi[2]); in print_box() [all …]
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H A D | change_box.cpp | 249 delta = domain->boxhi[ops[m].dim] - mid; in command() 450 newvol = domain->boxhi[0] - domain->boxlo[0]; in volume_preserve() 451 newvol *= domain->boxhi[1] - domain->boxlo[1]; in volume_preserve() 453 newvol = domain->boxhi[0] - domain->boxlo[0]; in volume_preserve() 454 newvol *= domain->boxhi[1] - domain->boxlo[1]; in volume_preserve() 455 newvol *= domain->boxhi[2] - domain->boxlo[2]; in volume_preserve() 467 delta = domain->boxhi[dim1] - mid; in volume_preserve() 468 domain->boxhi[dim1] = mid + scale*delta; in volume_preserve() 477 delta = domain->boxhi[dim1] - mid; in volume_preserve() 478 domain->boxhi[dim1] = mid + sqrt(scale)*delta; in volume_preserve() [all …]
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H A D | create_box.cpp | 67 domain->boxhi[0] = domain->regions[iregion]->extent_xhi; in command() 69 domain->boxhi[1] = domain->regions[iregion]->extent_yhi; in command() 71 domain->boxhi[2] = domain->regions[iregion]->extent_zhi; in command() 77 domain->boxhi[0] = region->xhi; in command() 79 domain->boxhi[1] = region->yhi; in command() 81 domain->boxhi[2] = region->zhi; in command()
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H A D | compute_chunk_atom.cpp | 1175 binhi[0] = domain->boxhi[0]; in setup_xyz_bins() 1176 binhi[1] = domain->boxhi[1]; in setup_xyz_bins() 1177 binhi[2] = domain->boxhi[2]; in setup_xyz_bins() 1463 double *boxlo,*boxhi,*prd; in atom2bin1d() local 1480 boxhi = domain->boxhi; in atom2bin1d() 1535 double *boxlo,*boxhi,*prd; in atom2bin2d() local 1554 boxhi = domain->boxhi; in atom2bin2d() 1638 double *boxlo,*boxhi,*prd; in atom2bin3d() local 1659 boxhi = domain->boxhi; in atom2bin3d() 1775 double *boxhi = domain->boxhi; in atom2binsphere() local [all …]
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H A D | fix_thermal_conductivity.cpp | 130 boxhi = domain->boxhi[edim]; in init() 131 double binsize = (boxhi-boxlo) / nbin; in init() 157 boxhi = domain->boxhi[edim]; in end_of_step() 158 double binsize = (boxhi-boxlo) / nbin; in end_of_step() 185 else if (coord >= boxhi && periodicity) coord -= prd; in end_of_step()
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/dports/science/chrono/chrono-7.0.1/src/chrono_distributed/physics/ |
H A D | ChDomainDistributed.cpp | 53 boxhi = hi; in SetSimDomain() 55 double len_x = boxhi.x() - boxlo.x(); in SetSimDomain() 56 double len_y = boxhi.y() - boxlo.y(); in SetSimDomain() 57 double len_z = boxhi.z() - boxlo.z(); in SetSimDomain() 65 split_axis = (len_z >= boxhi[split_axis] - boxlo[split_axis]) ? 2 : split_axis; in SetSimDomain() 73 double sub_len = (boxhi[split_axis] - boxlo[split_axis]) / my_sys->num_ranks; in SplitDomain() 81 subhi[i] = boxhi[i]; in SplitDomain() 166 << boxlo.x() << " to " << boxhi.x() in PrintDomain() 169 << boxlo.y() << " to " << boxhi.y() in PrintDomain() 172 << boxlo.z() << " to " << boxhi.z() in PrintDomain()
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/dports/science/sparta/sparta-20Oct2021/src/ |
H A D | domain.cpp | 124 if (boxlo[0] >= boxhi[0] || boxlo[1] >= boxhi[1] || boxlo[2] >= boxhi[2]) in set_initial_box() 135 prd[0] = xprd = boxhi[0] - boxlo[0]; in set_global_box() 136 prd[1] = yprd = boxhi[1] - boxlo[1]; in set_global_box() 307 x[0] = boxhi[0]; in collide() 315 x[1] = boxhi[1]; in collide() 323 x[2] = boxhi[2]; in collide() 398 x[0] = boxhi[0]; in uncollide() 404 x[1] = boxhi[1]; in uncollide() 410 x[2] = boxhi[2]; in uncollide() 491 str,boxlo[0],boxlo[1],boxlo[2],boxhi[0],boxhi[1],boxhi[2]); in print_box() [all …]
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H A D | create_box.cpp | 43 domain->boxhi[0] = atof(arg[1]); in command() 45 domain->boxhi[1] = atof(arg[3]); in command() 47 domain->boxhi[2] = atof(arg[5]); in command() 50 if (domain->boxlo[2] >= 0.0 || domain->boxhi[2] <= 0.0) in command()
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H A D | read_particles.cpp | 189 double *boxhi = domain->boxhi; in process_particles() local 198 if (x[0] < boxlo[0] || x[0] > boxhi[0] || in process_particles() 199 x[1] < boxlo[1] || x[1] > boxhi[1] || in process_particles() 200 x[2] < boxlo[2] || x[2] > boxhi[2]) continue; in process_particles() 206 icell = grid->id_find_child(0,0,boxlo,boxhi,x); in process_particles()
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/dports/science/lammps/lammps-stable_29Sep2021/unittest/c-library/ |
H A D | test_library_mpi.cpp | 29 double boxhi[3]; in TEST() local 53 EXPECT_EQ(boxhi[0], 2.0); in TEST() 54 EXPECT_EQ(boxhi[1], 2.0); in TEST() 55 EXPECT_EQ(boxhi[2], 2.0); in TEST() 72 double boxhi[3]; in TEST() local 96 EXPECT_EQ(boxhi[0], 2.0); in TEST() 97 EXPECT_EQ(boxhi[1], 2.0); in TEST() 98 EXPECT_EQ(boxhi[2], 2.0); in TEST() 109 EXPECT_LE(subhi[0], boxhi[0]); in TEST() 110 EXPECT_LE(subhi[1], boxhi[1]); in TEST() [all …]
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H A D | test_library_properties.cpp | 117 double boxlo[3], boxhi[3], xy, yz, xz; in TEST_F() local 123 EXPECT_DOUBLE_EQ(boxhi[0], 8.975428); in TEST_F() 124 EXPECT_DOUBLE_EQ(boxhi[1], 7.307134); in TEST_F() 125 EXPECT_DOUBLE_EQ(boxhi[2], 6.913076); in TEST_F() 144 EXPECT_DOUBLE_EQ(boxhi[0], 8.975428); in TEST_F() 145 EXPECT_DOUBLE_EQ(boxhi[1], 7.307134); in TEST_F() 146 EXPECT_DOUBLE_EQ(boxhi[2], 6.913076); in TEST_F() 161 boxhi[1] = 7.3; in TEST_F() 172 EXPECT_DOUBLE_EQ(boxhi[0], 8.975428); in TEST_F() 173 EXPECT_DOUBLE_EQ(boxhi[1], 7.3); in TEST_F() [all …]
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/dports/science/sparta/sparta-20Oct2021/src/KOKKOS/ |
H A D | domain_kokkos.h | 66 x[0] = boxhi[0]; in collide_kokkos() 74 x[1] = boxhi[1]; in collide_kokkos() 82 x[2] = boxhi[2]; in collide_kokkos() 134 x[0] = boxhi[0]; in uncollide_kokkos() 140 x[1] = boxhi[1]; in uncollide_kokkos() 146 x[2] = boxhi[2]; in uncollide_kokkos()
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | domain_kokkos.cpp | 127 if (boundary[0][1] == 2) boxhi[0] = all[0][1] + small[0]; in reset_box() 129 if (boxlo[0] > boxhi[0]) error->all(FLERR,"Illegal simulation box"); in reset_box() 135 if (boundary[1][1] == 2) boxhi[1] = all[1][1] + small[1]; in reset_box() 137 if (boxlo[1] > boxhi[1]) error->all(FLERR,"Illegal simulation box"); in reset_box() 143 if (boundary[2][1] == 2) boxhi[2] = all[2][1] + small[2]; in reset_box() 145 if (boxlo[2] > boxhi[2]) error->all(FLERR,"Illegal simulation box"); in reset_box() 157 if (boundary[0][1] == 2) boxhi[0] = hi[0] + small[0]; in reset_box() 168 if (boundary[1][1] == 2) boxhi[1] = hi[1] + small[1]; in reset_box() 180 if (boundary[2][1] == 2) boxhi[2] = hi[2] + small[2]; in reset_box() 354 hi = boxhi; in pbc() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/python/examples/ |
H A D | simple.py | 123 boxlo,boxhi,xy,yz,xz,periodicity,box_change = lmp.extract_box() variable 124 if me == 0: print("Box info",boxlo,boxhi,xy,yz,xz,periodicity,box_change) 128 boxlo,boxhi,xy,yz,xz,periodicity,box_change = lmp.extract_box() variable 129 if me == 0: print("Box info",boxlo,boxhi,xy,yz,xz,periodicity,box_change)
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/dports/science/lammps/lammps-stable_29Sep2021/src/MISC/ |
H A D | compute_viscosity_cos.cpp | 85 double zhi = domain->boxhi[2]; in calc_V() 120 double zhi = domain->boxhi[2]; in compute_scalar() 162 double zhi = domain->boxhi[2]; in compute_vector() 204 double zhi = domain->boxhi[2]; in remove_bias() 222 double zhi = domain->boxhi[2]; in remove_bias_thr() 240 double zhi = domain->boxhi[2]; in remove_bias_all()
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-FIX/ |
H A D | fix_viscosity.cpp | 141 boxhi = domain->boxhi[pdim]; in init() 142 double binsize = (boxhi-boxlo) / nbin; in init() 168 boxhi = domain->boxhi[pdim]; in end_of_step() 169 double binsize = (boxhi-boxlo) / nbin; in end_of_step() 194 else if (coord >= boxhi && periodicity) coord -= prd; in end_of_step()
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/dports/math/ploticus/pl240src/src/ |
H A D | proc_pie.c | 32 double fval, x, y, oldx, oldy, stheta, lblfarout, boxwid, boxhi, labx, laby, dval; in PLP_pie() local 259 boxhi = nlines * Ecurtextheight; in PLP_pie() 266 y1 = laby-boxhi; y2 = laby; in PLP_pie() 287 boxhi = nlines * Ecurtextheight; in PLP_pie() 309 Ecblock( labx-boxwid-0.1, laby-boxhi+(Ecurtextheight*0.6), in PLP_pie() 315 clickmap_entry( 'r', expandedurl, 0, labx-boxwid, laby-boxhi+Ecurtextheight, in PLP_pie() 325 Ecblock( labx-0.1, laby-boxhi+(Ecurtextheight*0.6), in PLP_pie() 330 clickmap_entry( 'r', expandedurl, 0, labx, laby-boxhi+Ecurtextheight, in PLP_pie()
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/dports/math/ploticus-nox11/pl240src/src/ |
H A D | proc_pie.c | 32 double fval, x, y, oldx, oldy, stheta, lblfarout, boxwid, boxhi, labx, laby, dval; in PLP_page() 259 boxhi = nlines * Ecurtextheight; in PLP_page() 266 y1 = laby-boxhi; y2 = laby; in PLP_page() 287 boxhi = nlines * Ecurtextheight; in PLP_page() 309 Ecblock( labx-boxwid-0.1, laby-boxhi+(Ecurtextheight*0.6), in PLP_page() 315 clickmap_entry( 'r', expandedurl, 0, labx-boxwid, laby-boxhi+Ecurtextheight, in PLP_page() 325 Ecblock( labx-0.1, laby-boxhi+(Ecurtextheight*0.6), in PLP_page() 330 clickmap_entry( 'r', expandedurl, 0, labx, laby-boxhi+Ecurtextheight, in PLP_page()
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