/dports/graphics/graphite2/graphite2-1.3.14/tests/grlist/ |
H A D | intervalsettest.cpp | 91 test.add(fpair(10., 100.)); in main() 130 test.add(fpair(10., 85.)); in main() 168 test.add(fpair(10., 50.)); in main() 169 test.add(fpair(20., 30.)); in main() 170 test.add(fpair(40., 60.)); in main() 171 test.add(fpair(60., 80.)); in main() 172 test.add(fpair(90., 90.)); in main() 186 test.add(fpair(10., 90.)); in main() 200 test.add(fpair(10., 90.)); in main() 211 test.add(fpair(10., 30.)); in main() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | pair_kokkos.h | 152 fxtmp += delx*fpair; 153 fytmp += dely*fpair; 154 fztmp += delz*fpair; 708 (void) fpair; 751 if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(policy,ff,ev); 757 if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(policy,ff,ev); 763 if (fpair->eflag || fpair->vflag) Kokkos::parallel_reduce(list->inum,ff,ev); 818 int nall = fpair->atom->nlocal + fpair->atom->nghost; 821 …Kokkos::parallel_reduce(fpair->atom->nfirst,PairVirialFDotRCompute<typename PairStyle::device_type… 823 …Kokkos::parallel_reduce(fpair->atom->nghost,PairVirialFDotRCompute<typename PairStyle::device_type… [all …]
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/ |
H A D | cuda_pair_kernel.cu | 67 F_FLOAT fxtmp, fytmp, fztmp, fpair; in Pair_Kernel_TpA() local 101 fpair = F_F(0.0); in Pair_Kernel_TpA() 252 fxtmp += dxfp = delx * fpair; in Pair_Kernel_TpA() 253 fytmp += dyfp = dely * fpair; in Pair_Kernel_TpA() 254 fztmp += dzfp = delz * fpair; in Pair_Kernel_TpA() 376 F_FLOAT fpair; in Pair_Kernel_BpA() local 400 fpair = F_F(0.0); in Pair_Kernel_BpA() 723 F_FLOAT fxtmp, fytmp, fztmp, fpair; in Pair_Kernel_TpA_opt() local 760 fpair = F_F(0.0); in Pair_Kernel_TpA_opt() 1037 F_FLOAT fpair; in Pair_Kernel_BpA_opt() local [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/CORESHELL/ |
H A D | pair_lj_cut_coul_long_cs.cpp | 159 f[i][0] += delx*fpair; in compute() 160 f[i][1] += dely*fpair; in compute() 161 f[i][2] += delz*fpair; in compute() 267 f[i][0] += delx*fpair; in compute_inner() 268 f[i][1] += dely*fpair; in compute_inner() 269 f[i][2] += delz*fpair; in compute_inner() 361 f[i][0] += delx*fpair; in compute_middle() 362 f[i][1] += dely*fpair; in compute_middle() 363 f[i][2] += delz*fpair; in compute_middle() 489 f[i][0] += delx*fpair; in compute_outer() [all …]
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H A D | pair_lj_class2_coul_long_cs.cpp | 156 f[i][0] += delx*fpair; in compute() 157 f[i][1] += dely*fpair; in compute() 158 f[i][2] += delz*fpair; in compute() 266 f[i][0] += delx*fpair; in compute_inner() 267 f[i][1] += dely*fpair; in compute_inner() 268 f[i][2] += delz*fpair; in compute_inner() 362 f[i][0] += delx*fpair; in compute_middle() 363 f[i][1] += dely*fpair; in compute_middle() 364 f[i][2] += delz*fpair; in compute_middle() 492 f[i][0] += delx*fpair; in compute_outer() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPT/ |
H A D | pair_lj_cut_opt.cpp | 137 tmpfx += delx*fpair; in eval() 138 tmpfy += dely*fpair; in eval() 139 tmpfz += delz*fpair; in eval() 141 ff[j].x -= delx*fpair; in eval() 142 ff[j].y -= dely*fpair; in eval() 143 ff[j].z -= delz*fpair; in eval() 173 tmpfx += delx*fpair; in eval() 174 tmpfy += dely*fpair; in eval() 175 tmpfz += delz*fpair; in eval() 177 ff[j].x -= delx*fpair; in eval() [all …]
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H A D | pair_morse_opt.cpp | 137 tmpfx += delx*fpair; in eval() 138 tmpfy += dely*fpair; in eval() 139 tmpfz += delz*fpair; in eval() 141 ff[j].x -= delx*fpair; in eval() 142 ff[j].y -= dely*fpair; in eval() 143 ff[j].z -= delz*fpair; in eval() 170 tmpfx += delx*fpair; in eval() 171 tmpfy += dely*fpair; in eval() 172 tmpfz += delz*fpair; in eval() 174 ff[j].x -= delx*fpair; in eval() [all …]
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H A D | pair_ufm_opt.cpp | 135 tmpfx += delx*fpair; in eval() 136 tmpfy += dely*fpair; in eval() 137 tmpfz += delz*fpair; in eval() 139 ff[j].x -= delx*fpair; in eval() 140 ff[j].y -= dely*fpair; in eval() 141 ff[j].z -= delz*fpair; in eval() 169 tmpfx += delx*fpair; in eval() 170 tmpfy += dely*fpair; in eval() 171 tmpfz += delz*fpair; in eval() 173 ff[j].x -= delx*fpair; in eval() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/EFF/ |
H A D | pair_eff_cut.cpp | 74 double fpair,fx,fy,fz; in compute() local 119 fpair = e1rforce = e2rforce = 0.0; in compute() 143 fpair *= qqrd2e; in compute() 150 fpair = fpair + s_fpair; in compute() 409 &fpair,&e2rforce); in compute() 417 &fpair,&e2rforce); in compute() 419 &fpair,&e2rforce); in compute() 430 &fpair,&e2rforce); in compute() 539 fpair *= qqrd2e; in compute() 544 fpair = fpair + s_fpair + ecp_fpair; in compute() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/BODY/ |
H A D | pair_body_nparticle.cpp | 169 fi[0] = delx*fpair; in compute() 170 fi[1] = dely*fpair; in compute() 171 fi[2] = delz*fpair; in compute() 229 fi[0] = delx*fpair; in compute() 230 fi[1] = dely*fpair; in compute() 231 fi[2] = delz*fpair; in compute() 283 fi[0] = delx*fpair; in compute() 284 fi[1] = dely*fpair; in compute() 285 fi[2] = delz*fpair; in compute() 312 fpair = forcelj*r2inv; in compute() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | pair_lj_cut.cpp | 119 f[i][0] += delx * fpair; in compute() 120 f[i][1] += dely * fpair; in compute() 121 f[i][2] += delz * fpair; in compute() 123 f[j][0] -= delx * fpair; in compute() 124 f[j][1] -= dely * fpair; in compute() 201 f[i][0] += delx * fpair; in compute_inner() 202 f[i][1] += dely * fpair; in compute_inner() 203 f[i][2] += delz * fpair; in compute_inner() 283 f[i][0] += delx * fpair; in compute_middle() 284 f[i][1] += dely * fpair; in compute_middle() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/TALLY/ |
H A D | compute_force_tally.cpp | 123 ftotal[0] += fpair * dx; in pair_tally_callback() 124 ftotal[1] += fpair * dy; in pair_tally_callback() 125 ftotal[2] += fpair * dz; in pair_tally_callback() 127 fatom[i][0] += fpair * dx; in pair_tally_callback() 128 fatom[i][1] += fpair * dy; in pair_tally_callback() 129 fatom[i][2] += fpair * dz; in pair_tally_callback() 133 ftotal[0] -= fpair * dx; in pair_tally_callback() 134 ftotal[1] -= fpair * dy; in pair_tally_callback() 135 ftotal[2] -= fpair * dz; in pair_tally_callback() 137 fatom[j][0] -= fpair * dx; in pair_tally_callback() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/ |
H A D | pair_lj96_cut.cpp | 119 f[i][0] += delx*fpair; in compute() 120 f[i][1] += dely*fpair; in compute() 121 f[i][2] += delz*fpair; in compute() 123 f[j][0] -= delx*fpair; in compute() 124 f[j][1] -= dely*fpair; in compute() 204 f[i][0] += delx*fpair; in compute_inner() 205 f[i][1] += dely*fpair; in compute_inner() 206 f[i][2] += delz*fpair; in compute_inner() 287 f[i][0] += delx*fpair; in compute_middle() 288 f[i][1] += dely*fpair; in compute_middle() [all …]
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H A D | pair_mie_cut.cpp | 122 f[i][0] += delx*fpair; in compute() 123 f[i][1] += dely*fpair; in compute() 124 f[i][2] += delz*fpair; in compute() 126 f[j][0] -= delx*fpair; in compute() 127 f[j][1] -= dely*fpair; in compute() 207 f[i][0] += delx*fpair; in compute_inner() 208 f[i][1] += dely*fpair; in compute_inner() 209 f[i][2] += delz*fpair; in compute_inner() 290 f[i][0] += delx*fpair; in compute_middle() 291 f[i][1] += dely*fpair; in compute_middle() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/CLASS2/ |
H A D | pair_lj_class2.cpp | 118 f[i][0] += delx*fpair; in compute() 119 f[i][1] += dely*fpair; in compute() 120 f[i][2] += delz*fpair; in compute() 122 f[j][0] -= delx*fpair; in compute() 123 f[j][1] -= dely*fpair; in compute() 205 f[i][0] += delx*fpair; in compute_inner() 206 f[i][1] += dely*fpair; in compute_inner() 207 f[i][2] += delz*fpair; in compute_inner() 289 f[i][0] += delx*fpair; in compute_middle() 290 f[i][1] += dely*fpair; in compute_middle() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
H A D | pair_buck_coul_msm.cpp | 139 f[i][0] += delx*fpair; in compute() 140 f[i][1] += dely*fpair; in compute() 141 f[i][2] += delz*fpair; in compute() 143 f[j][0] -= delx*fpair; in compute() 144 f[j][1] -= dely*fpair; in compute() 145 f[j][2] -= delz*fpair; in compute() 152 f[i][0] += delx*fpair; in compute() 153 f[i][1] += dely*fpair; in compute() 154 f[i][2] += delz*fpair; in compute() 156 f[j][0] -= delx*fpair; in compute() [all …]
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H A D | pair_born_coul_msm.cpp | 143 f[i][0] += delx*fpair; in compute() 144 f[i][1] += dely*fpair; in compute() 145 f[i][2] += delz*fpair; in compute() 147 f[j][0] -= delx*fpair; in compute() 148 f[j][1] -= dely*fpair; in compute() 149 f[j][2] -= delz*fpair; in compute() 156 f[i][0] += delx*fpair; in compute() 157 f[i][1] += dely*fpair; in compute() 158 f[i][2] += delz*fpair; in compute() 160 f[j][0] -= delx*fpair; in compute() [all …]
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H A D | pair_lj_cut_coul_msm.cpp | 157 f[i][0] += delx*fpair; in compute() 158 f[i][1] += dely*fpair; in compute() 159 f[i][2] += delz*fpair; in compute() 170 f[i][0] += delx*fpair; in compute() 171 f[i][1] += dely*fpair; in compute() 172 f[i][2] += delz*fpair; in compute() 343 f[i][0] += delx*fpair; in compute_outer() 344 f[i][1] += dely*fpair; in compute_outer() 345 f[i][2] += delz*fpair; in compute_outer() 347 f[j][0] -= delx*fpair; in compute_outer() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | pair_tersoff_mod_omp.cpp | 172 fxtmp += delx*fpair; in eval() 173 fytmp += dely*fpair; in eval() 174 fztmp += delz*fpair; in eval() 175 f[j].x -= delx*fpair; in eval() 176 f[j].y -= dely*fpair; in eval() 177 f[j].z -= delz*fpair; in eval() 238 fpair = fforce*r1inv; in eval() 240 fxtmp += delr1[0]*fpair; in eval() 241 fytmp += delr1[1]*fpair; in eval() 242 fztmp += delr1[2]*fpair; in eval() [all …]
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H A D | pair_tersoff_omp.cpp | 186 fxtmp += delx*fpair; in eval() 187 fytmp += dely*fpair; in eval() 188 fztmp += delz*fpair; in eval() 189 f[j].x -= delx*fpair; in eval() 190 f[j].y -= dely*fpair; in eval() 191 f[j].z -= delz*fpair; in eval() 250 fpair = fforce*r1inv; in eval() 252 fxtmp += delr1[0]*fpair; in eval() 253 fytmp += delr1[1]*fpair; in eval() 254 fztmp += delr1[2]*fpair; in eval() [all …]
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H A D | pair_tersoff_mod_c_omp.cpp | 172 fxtmp += delx*fpair; in eval() 173 fytmp += dely*fpair; in eval() 174 fztmp += delz*fpair; in eval() 175 f[j].x -= delx*fpair; in eval() 176 f[j].y -= dely*fpair; in eval() 177 f[j].z -= delz*fpair; in eval() 238 fpair = fforce*r1inv; in eval() 240 fxtmp += delr1[0]*fpair; in eval() 241 fytmp += delr1[1]*fpair; in eval() 242 fztmp += delr1[2]*fpair; in eval() [all …]
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H A D | pair_zbl_omp.cpp | 87 double rsq,t,fswitch,eswitch,evdwl,fpair; in eval() local 124 fpair = dzbldr(r, itype, jtype); in eval() 130 fpair += fswitch; in eval() 133 fpair *= -1.0/r; in eval() 134 fxtmp += delx*fpair; in eval() 135 fytmp += dely*fpair; in eval() 136 fztmp += delz*fpair; in eval() 139 f[j].x -= delx*fpair; in eval() 140 f[j].y -= dely*fpair; in eval() 141 f[j].z -= delz*fpair; in eval() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/FEP/ |
H A D | pair_lj_cut_soft.cpp | 126 f[i][0] += delx*fpair; in compute() 127 f[i][1] += dely*fpair; in compute() 128 f[i][2] += delz*fpair; in compute() 130 f[j][0] -= delx*fpair; in compute() 131 f[j][1] -= dely*fpair; in compute() 215 f[i][0] += delx*fpair; in compute_inner() 216 f[i][1] += dely*fpair; in compute_inner() 217 f[i][2] += delz*fpair; in compute_inner() 302 f[i][0] += delx*fpair; in compute_middle() 303 f[i][1] += dely*fpair; in compute_middle() [all …]
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/dports/devel/autogen/autogen-5.18.16/agen5/test/ |
H A D | str2m.test | 131 fpair="$testname-h.base $testname-h.res" 132 cmp -s $fpair || \ 134 diff $fpair`" 139 cmp -s $fpair || \ 141 diff $fpair`" 356 cmp -s $fpair || \ 358 diff $fpair`" 361 cmp -s $fpair || \ 363 diff $fpair`" 402 cmp -s $fpair || \ [all …]
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | pair_line_lj.cpp | 200 fi[0] = delx*fpair; in compute() 201 fi[1] = dely*fpair; in compute() 244 fpair = forcelj*r2inv; in compute() 248 fi[0] = delx*fpair; in compute() 249 fi[1] = dely*fpair; in compute() 294 fi[0] = delx*fpair; in compute() 295 fi[1] = dely*fpair; in compute() 314 fpair = forcelj*r2inv; in compute() 319 f[i][0] += delx*fpair; in compute() 320 f[i][1] += dely*fpair; in compute() [all …]
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