/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | region_sphere.cpp | 131 double dely = y - yc; in inside() local 133 double r = sqrt(delx*delx + dely*dely + delz*delz); in inside() 149 double dely = x[1] - yc; in surface_interior() local 151 double r = sqrt(delx*delx + dely*dely + delz*delz); in surface_interior() 158 contact[0].dely = dely*(1.0-radius/r); in surface_interior() 174 double dely = x[1] - yc; in surface_exterior() local 176 double r = sqrt(delx*delx + dely*dely + delz*delz); in surface_exterior() 183 contact[0].dely = dely*(1.0-radius/r); in surface_exterior()
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H A D | neigh_full.cpp | 112 dely = ytmp - x[j][1]; in full_nsq() 114 rsq = delx*delx + dely*dely + delz*delz; in full_nsq() 192 dely = ytmp - x[j][1]; in full_nsq_ghost() 194 rsq = delx*delx + dely*dely + delz*delz; in full_nsq_ghost() 212 dely = ytmp - x[j][1]; in full_nsq_ghost() 214 rsq = delx*delx + dely*dely + delz*delz; in full_nsq_ghost() 293 dely = ytmp - x[j][1]; in full_bin() 295 rsq = delx*delx + dely*dely + delz*delz; in full_bin() 389 rsq = delx*delx + dely*dely + delz*delz; in full_bin_ghost() 421 rsq = delx*delx + dely*dely + delz*delz; in full_bin_ghost() [all …]
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H A D | neigh_half_bin.cpp | 120 dely = ytmp - x[j][1]; in half_bin_no_newton() 122 rsq = delx*delx + dely*dely + delz*delz; in half_bin_no_newton() 220 dely = ytmp - x[j][1]; in half_bin_no_newton_ghost() 222 rsq = delx*delx + dely*dely + delz*delz; in half_bin_no_newton_ghost() 254 rsq = delx*delx + dely*dely + delz*delz; in half_bin_no_newton_ghost() 339 dely = ytmp - x[j][1]; in half_bin_newton() 341 rsq = delx*delx + dely*dely + delz*delz; in half_bin_newton() 364 dely = ytmp - x[j][1]; in half_bin_newton() 366 rsq = delx*delx + dely*dely + delz*delz; in half_bin_newton() 463 dely = ytmp - x[j][1]; in half_bin_newton_tri() [all …]
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H A D | neigh_half_nsq.cpp | 64 double xtmp,ytmp,ztmp,delx,dely,delz,rsq; in half_nsq_no_newton() local 111 dely = ytmp - x[j][1]; in half_nsq_no_newton() 113 rsq = delx*delx + dely*dely + delz*delz; in half_nsq_no_newton() 148 double xtmp,ytmp,ztmp,delx,dely,delz,rsq; in half_nsq_no_newton_ghost() local 200 dely = ytmp - x[j][1]; in half_nsq_no_newton_ghost() 202 rsq = delx*delx + dely*dely + delz*delz; in half_nsq_no_newton_ghost() 222 dely = ytmp - x[j][1]; in half_nsq_no_newton_ghost() 224 rsq = delx*delx + dely*dely + delz*delz; in half_nsq_no_newton_ghost() 251 double xtmp,ytmp,ztmp,delx,dely,delz,rsq; in half_nsq_newton() local 315 dely = ytmp - x[j][1]; in half_nsq_newton() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
H A D | lal_table.cu | 103 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_table() 126 virial[1] += dely*dely*force; in k_table() 205 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_table_fast() 228 virial[1] += dely*dely*force; in k_table_fast() 305 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_table_linear() 332 virial[1] += dely*dely*force; in k_table_linear() 438 virial[1] += dely*dely*force; in k_table_linear_fast() 549 virial[1] += dely*dely*force; in k_table_spline() 661 virial[1] += dely*dely*force; in k_table_spline_fast() 770 virial[1] += dely*dely*force; in k_table_bitmap() [all …]
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H A D | lal_gauss.cu | 69 numtyp dely = ix.y-jx.y; in k_gauss() local 71 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_gauss() 81 f.y+=dely*force; in k_gauss() 91 virial[1] += dely*dely*force; in k_gauss() 93 virial[3] += delx*dely*force; in k_gauss() 95 virial[5] += dely*delz*force; in k_gauss() 154 numtyp dely = ix.y-jx.y; in k_gauss_fast() local 156 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_gauss_fast() 165 f.y+=dely*force; in k_gauss_fast() 175 virial[1] += dely*dely*force; in k_gauss_fast() [all …]
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H A D | lal_ufm.cu | 74 numtyp dely = ix.y-jx.y; in k_ufm() local 76 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_ufm() 84 f.y += dely*force; in k_ufm() 92 virial[1] += dely*dely*force; in k_ufm() 94 virial[3] += delx*dely*force; in k_ufm() 96 virial[5] += dely*delz*force; in k_ufm() 164 numtyp dely = ix.y-jx.y; in k_ufm_fast() local 166 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_ufm_fast() 173 f.y += dely*force; in k_ufm_fast() 181 virial[1] += dely*dely*force; in k_ufm_fast() [all …]
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H A D | lal_coul.cu | 87 numtyp dely = ix.y-jx.y; in k_coul() local 89 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_coul() 101 f.y+=dely*force; in k_coul() 109 virial[1] += dely*dely*force; in k_coul() 111 virial[3] += delx*dely*force; in k_coul() 113 virial[5] += dely*delz*force; in k_coul() 182 numtyp dely = ix.y-jx.y; in k_coul_fast() local 184 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_coul_fast() 195 f.y+=dely*force; in k_coul_fast() 203 virial[1] += dely*dely*force; in k_coul_fast() [all …]
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H A D | lal_soft.cu | 80 numtyp dely = ix.y-jx.y; in k_soft() local 82 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_soft() 94 f.y+=dely*force; in k_soft() 103 virial[1] += dely*dely*force; in k_soft() 105 virial[3] += delx*dely*force; in k_soft() 107 virial[5] += dely*delz*force; in k_soft() 172 numtyp dely = ix.y-jx.y; in k_soft_fast() local 174 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_soft_fast() 185 f.y+=dely*force; in k_soft_fast() 194 virial[1] += dely*dely*force; in k_soft_fast() [all …]
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H A D | lal_yukawa.cu | 78 numtyp dely = ix.y-jx.y; in k_yukawa() local 80 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_yukawa() 92 f.y+=dely*force; in k_yukawa() 101 virial[1] += dely*dely*force; in k_yukawa() 103 virial[3] += delx*dely*force; in k_yukawa() 105 virial[5] += dely*delz*force; in k_yukawa() 171 numtyp dely = ix.y-jx.y; in k_yukawa_fast() local 173 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_yukawa_fast() 184 f.y+=dely*force; in k_yukawa_fast() 193 virial[1] += dely*dely*force; in k_yukawa_fast() [all …]
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H A D | lal_yukawa_colloid.cu | 91 numtyp dely = ix.y-jx.y; in k_yukawa_colloid() local 93 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_yukawa_colloid() 105 f.y+=dely*force; in k_yukawa_colloid() 114 virial[1] += dely*dely*force; in k_yukawa_colloid() 116 virial[3] += delx*dely*force; in k_yukawa_colloid() 118 virial[5] += dely*delz*force; in k_yukawa_colloid() 187 numtyp dely = ix.y-jx.y; in k_yukawa_colloid_fast() local 189 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_yukawa_colloid_fast() 200 f.y+=dely*force; in k_yukawa_colloid_fast() 209 virial[1] += dely*dely*force; in k_yukawa_colloid_fast() [all …]
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H A D | lal_coul_debye.cu | 88 numtyp dely = ix.y-jx.y; in k_coul_debye() local 90 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_coul_debye() 105 f.y+=dely*force; in k_coul_debye() 113 virial[1] += dely*dely*force; in k_coul_debye() 115 virial[3] += delx*dely*force; in k_coul_debye() 117 virial[5] += dely*delz*force; in k_coul_debye() 189 numtyp dely = ix.y-jx.y; in k_coul_debye_fast() local 191 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_coul_debye_fast() 205 f.y+=dely*force; in k_coul_debye_fast() 213 virial[1] += dely*dely*force; in k_coul_debye_fast() [all …]
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H A D | lal_lj.cu | 72 numtyp dely = ix.y-jx.y; in k_lj() local 74 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj() 84 f.y+=dely*force; in k_lj() 93 virial[1] += dely*dely*force; in k_lj() 95 virial[3] += delx*dely*force; in k_lj() 97 virial[5] += dely*delz*force; in k_lj() 183 numtyp dely = ix.y-jx.y; in k_lj_fast() local 185 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj_fast() 201 f.y+=dely*force; in k_lj_fast() 219 virial[1] += dely*dely*force; in k_lj_fast() [all …]
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H A D | lal_lj_expand.cu | 81 numtyp dely = ix.y-jx.y; in k_lj_expand() local 83 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj_expand() 96 f.y+=dely*force; in k_lj_expand() 105 virial[1] += dely*dely*force; in k_lj_expand() 107 virial[3] += delx*dely*force; in k_lj_expand() 109 virial[5] += dely*delz*force; in k_lj_expand() 178 numtyp dely = ix.y-jx.y; in k_lj_expand_fast() local 180 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj_expand_fast() 192 f.y+=dely*force; in k_lj_expand_fast() 201 virial[1] += dely*dely*force; in k_lj_expand_fast() [all …]
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H A D | lal_lj_sdk.cu | 79 numtyp dely = ix.y-jx.y; in k_lj_sdk() local 81 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj_sdk() 101 f.y+=dely*force; in k_lj_sdk() 108 virial[1] += dely*dely*force; in k_lj_sdk() 110 virial[3] += delx*dely*force; in k_lj_sdk() 112 virial[5] += dely*delz*force; in k_lj_sdk() 181 numtyp dely = ix.y-jx.y; in k_lj_sdk_fast() local 183 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj_sdk_fast() 202 f.y+=dely*force; in k_lj_sdk_fast() 209 virial[1] += dely*dely*force; in k_lj_sdk_fast() [all …]
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H A D | lal_lj96.cu | 79 numtyp dely = ix.y-jx.y; in k_lj96() local 81 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj96() 92 f.y+=dely*force; in k_lj96() 101 virial[1] += dely*dely*force; in k_lj96() 103 virial[3] += delx*dely*force; in k_lj96() 105 virial[5] += dely*delz*force; in k_lj96() 174 numtyp dely = ix.y-jx.y; in k_lj96_fast() local 176 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj96_fast() 186 f.y+=dely*force; in k_lj96_fast() 195 virial[1] += dely*dely*force; in k_lj96_fast() [all …]
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/gpu/ |
H A D | lal_table.cu | 100 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_table() 123 virial[1] += dely*dely*force; in k_table() 199 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_table_fast() 222 virial[1] += dely*dely*force; in k_table_fast() 296 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_table_linear() 323 virial[1] += dely*dely*force; in k_table_linear() 426 virial[1] += dely*dely*force; in k_table_linear_fast() 534 virial[1] += dely*dely*force; in k_table_spline() 644 virial[1] += dely*dely*force; in k_table_spline_fast() 750 virial[1] += dely*dely*force; in k_table_bitmap() [all …]
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H A D | lal_yukawa.cu | 75 numtyp dely = ix.y-jx.y; in k_yukawa() local 77 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_yukawa() 89 f.y+=dely*force; in k_yukawa() 98 virial[1] += dely*dely*force; in k_yukawa() 100 virial[3] += delx*dely*force; in k_yukawa() 102 virial[5] += dely*delz*force; in k_yukawa() 165 numtyp dely = ix.y-jx.y; in k_yukawa_fast() local 167 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_yukawa_fast() 178 f.y+=dely*force; in k_yukawa_fast() 187 virial[1] += dely*dely*force; in k_yukawa_fast() [all …]
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H A D | lal_gauss.cu | 75 numtyp dely = ix.y-jx.y; in k_gauss() local 77 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_gauss() 87 f.y+=dely*force; in k_gauss() 97 virial[1] += dely*dely*force; in k_gauss() 99 virial[3] += delx*dely*force; in k_gauss() 101 virial[5] += dely*delz*force; in k_gauss() 163 numtyp dely = ix.y-jx.y; in k_gauss_fast() local 165 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_gauss_fast() 174 f.y+=dely*force; in k_gauss_fast() 184 virial[1] += dely*dely*force; in k_gauss_fast() [all …]
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H A D | lal_lj96.cu | 76 numtyp dely = ix.y-jx.y; in k_lj96() local 78 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj96() 89 f.y+=dely*force; in k_lj96() 98 virial[1] += dely*dely*force; in k_lj96() 100 virial[3] += delx*dely*force; in k_lj96() 102 virial[5] += dely*delz*force; in k_lj96() 168 numtyp dely = ix.y-jx.y; in k_lj96_fast() local 170 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj96_fast() 179 f.y+=dely*force; in k_lj96_fast() 188 virial[1] += dely*dely*force; in k_lj96_fast() [all …]
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H A D | lal_soft.cu | 77 numtyp dely = ix.y-jx.y; in k_soft() local 79 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_soft() 91 f.y+=dely*force; in k_soft() 100 virial[1] += dely*dely*force; in k_soft() 102 virial[3] += delx*dely*force; in k_soft() 104 virial[5] += dely*delz*force; in k_soft() 166 numtyp dely = ix.y-jx.y; in k_soft_fast() local 168 numtyp rsq = delx*delx+dely*dely+delz*delz; in k_soft_fast() 179 f.y+=dely*force; in k_soft_fast() 188 virial[1] += dely*dely*force; in k_soft_fast() [all …]
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H A D | lal_lj.cu | 76 numtyp dely = ix.y-jx.y; in k_lj() local 78 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj() 88 f.y+=dely*force; in k_lj() 97 virial[1] += dely*dely*force; in k_lj() 99 virial[3] += delx*dely*force; in k_lj() 101 virial[5] += dely*delz*force; in k_lj() 167 numtyp dely = ix.y-jx.y; in k_lj_fast() local 169 numtyp r2inv = delx*delx+dely*dely+delz*delz; in k_lj_fast() 177 f.y+=dely*force; in k_lj_fast() 186 virial[1] += dely*dely*force; in k_lj_fast() [all …]
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H A D | lal_morse.cu | 78 numtyp dely = ix.y-jx.y; in k_morse() local 80 numtyp r = delx*delx+dely*dely+delz*delz; in k_morse() 91 f.y+=dely*force; in k_morse() 100 virial[1] += dely*dely*force; in k_morse() 102 virial[3] += delx*dely*force; in k_morse() 104 virial[5] += dely*delz*force; in k_morse() 170 numtyp dely = ix.y-jx.y; in k_morse_fast() local 172 numtyp r = delx*delx+dely*dely+delz*delz; in k_morse_fast() 182 f.y+=dely*force; in k_morse_fast() 191 virial[1] += dely*dely*force; in k_morse_fast() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | region_sphere.cpp | 129 double dely = y - yc; in inside() local 131 double r = sqrt(delx*delx + dely*dely + delz*delz); in inside() 147 double dely = x[1] - yc; in surface_interior() local 149 double r = sqrt(delx*delx + dely*dely + delz*delz); in surface_interior() 156 contact[0].dely = dely*(1.0-radius/r); in surface_interior() 175 double dely = x[1] - yc; in surface_exterior() local 177 double r = sqrt(delx*delx + dely*dely + delz*delz); in surface_exterior() 184 contact[0].dely = dely*(1.0-radius/r); in surface_exterior() 281 double delx, dely, delz; // Displacement of contact point in x,y,z in velocity_contact_shape() local 284 dely = (xc[1] - xcenter[1])*(1 - rprev/radius); in velocity_contact_shape() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | pair_adp_omp.cpp | 149 dely = ytmp - x[j].y; in eval() 151 rsq = delx*delx + dely*dely + delz*delz; in eval() 165 mu_t[i][1] += u2*dely; in eval() 170 lambda_t[i][1] += w2*dely*dely; in eval() 183 mu_t[j][1] -= u2*dely; in eval() 188 lambda_t[j][1] += w2*dely*dely; in eval() 289 dely = ytmp - x[j].y; in eval() 291 rsq = delx*delx + dely*dely + delz*delz; in eval() 346 tradellam = sumlamxx*delx*delx+sumlamyy*dely*dely+ in eval() 356 w2p*dely*recip*tradellam - 1.0/3.0*nu*(w2p*r+2.0*w2)*dely; in eval() [all …]
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