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Searched refs:boxhi (Results 1 – 25 of 172) sorted by relevance

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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dfix_minimize.cpp129 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 …]
H A Ddomain.cpp148 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 …]
H A Ddomain_I.h58 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()
H A Dchange_box.cpp278 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()
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H A Dcreate_box.cpp118 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()
H A Dfix_ave_spatial.cpp1012 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()
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/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dfix_minimize.cpp95 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 …]
H A Ddomain.cpp79 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()
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H A Dchange_box.cpp249 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 …]
H A Dcreate_box.cpp67 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()
H A Dcompute_chunk_atom.cpp1175 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
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H A Dfix_thermal_conductivity.cpp130 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()
/dports/science/chrono/chrono-7.0.1/src/chrono_distributed/physics/
H A DChDomainDistributed.cpp53 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()
/dports/science/sparta/sparta-20Oct2021/src/
H A Ddomain.cpp124 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 …]
H A Dcreate_box.cpp43 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()
H A Dread_particles.cpp189 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()
/dports/science/lammps/lammps-stable_29Sep2021/unittest/c-library/
H A Dtest_library_mpi.cpp29 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()
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H A Dtest_library_properties.cpp117 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()
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/dports/science/sparta/sparta-20Oct2021/src/KOKKOS/
H A Ddomain_kokkos.h66 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Ddomain_kokkos.cpp127 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/python/examples/
H A Dsimple.py123 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)
/dports/science/lammps/lammps-stable_29Sep2021/src/MISC/
H A Dcompute_viscosity_cos.cpp85 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-FIX/
H A Dfix_viscosity.cpp141 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()
/dports/math/ploticus/pl240src/src/
H A Dproc_pie.c32 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()
/dports/math/ploticus-nox11/pl240src/src/
H A Dproc_pie.c32 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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