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/dports/science/lammps/lammps-stable_29Sep2021/tools/ch2lmp/other/
H A Dmkdcd_f77.f16 common/real_variables/ xprd, yprd, zprd, box(2,3), local
45 common/real_variables/ xprd, yprd, zprd, box(2,3), local
88 yprd = box(2,2) - box(1,2)
120 common/real_variables/ xprd, yprd, zprd, box(2,3), local
141 xtlabc(3) = yprd
164 common/real_variables/ xprd, yprd, zprd, box(2,3), local
218 common/real_variables/ xprd, yprd, zprd, box(2,3), local
241 yprd = box(2,2) - box(1,2)
251 x(2,i) = buf(4)*yprd + box(1,2)
270 common/real_variables/ xprd, yprd, zprd, box(2,3), local
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H A Dmkdcd.f12 real*8 xprd,yprd,zprd,box(2,3) variable
100 yprd = box(2,2) - box(1,2)
143 xtlabc(3) = yprd
231 yprd = box(2,2) - box(1,2)
238 x(2,itag) = buf(4)*yprd + box(1,2)
315 x(2,i) = x(2,i) - yprd*(nint(x(2,i)/yprd))
H A Dmkpdb.f12 real*8 xprd,yprd,zprd,box(2,3) variable
148 shifty = shifty + (x(2,i) + mytrue(2,i)*yprd)*mass(type(i))
178 1 (x(2,i) + mytrue(2,i)*yprd)*mass(type(i))
194 nboxy(i) = nint(comy(i)/yprd)
203 yy = x(2,i) + (mytrue(2,i) - nboxy(imolecule))*yprd
268 yprd = box(2,2) - box(1,2)
276 x(2,itag) = buf(4)*yprd + box(1,2)
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Datom_vec_kokkos.cpp74 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackComm()
121 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
126 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
133 domain->xprd,domain->yprd,domain->zprd, in pack_comm_kokkos()
197 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackCommSelf()
323 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackCommSelfFused()
370 domain->xprd,domain->yprd,domain->zprd, in pack_comm_self_fused()
375 domain->xprd,domain->yprd,domain->zprd, in pack_comm_self_fused()
471 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecKokkos_PackCommVel()
728 dy = pbc[1]*domain->yprd; in pack_comm()
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H A Dfix_minimize_kokkos.cpp103 auto yprd = domain->yprd; in reset_coords() local
132 if (dy < 0.0) dy += yprd; in reset_coords()
133 else dy -= yprd; in reset_coords()
160 dy += yprd; in reset_coords()
163 dy -= yprd; in reset_coords()
H A Datom_vec_sphere_kokkos.cpp231 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecSphereKokkos_PackComm()
399 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecSphereKokkos_PackCommVel()
759 _xprd(xprd),_yprd(yprd),_zprd(zprd), in AtomVecSphereKokkos_PackCommSelf()
1058 dy = pbc[1]*domain->yprd; in pack_comm()
1087 dy = pbc[1]*domain->yprd; in pack_comm()
1135 dy = pbc[1]*domain->yprd; in pack_comm_vel()
1200 dy = pbc[1]*domain->yprd; in pack_comm_vel()
1499 dy = pbc[1]*domain->yprd; in pack_border_kokkos()
1569 dy = pbc[1]*domain->yprd; in pack_border()
1693 dy = pbc[1]*domain->yprd; in pack_border_vel_kokkos()
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H A Dfix_nh_kokkos.cpp444 if (domain->yz < -TILTMAX*domain->yprd || in remap()
445 domain->yz > TILTMAX*domain->yprd || in remap()
675 double yprd = domain->yprd; in pre_exchange() local
681 double ytiltmax = (0.5+DELTAFLIP)*yprd; in pre_exchange()
688 domain->yz += yprd; in pre_exchange()
692 domain->yz -= yprd; in pre_exchange()
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dpppm_stagger.cpp288 const double yprd = prd[1]; in compute_qopt() local
292 const double unitky = (MY_2PI/yprd); in compute_qopt()
342 argy = 0.5*qy*yprd/ny_pppm; in compute_qopt()
384 const double yprd = prd[1]; in compute_qopt_ad() local
428 argy = 0.5*qy*yprd/ny_pppm; in compute_qopt_ad()
493 const double yprd = prd[1]; in compute_gf_ik() local
580 const double yprd = prd[1]; in compute_gf_ad() local
613 argy = 0.5*qy*yprd/ny_pppm; in compute_gf_ad()
657 prey *= ny_pppm/yprd; in compute_gf_ad()
841 double yprd = prd[1]; in fieldforce_ad() local
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H A Dpppm.cpp401 double yprd = prd[1]; in setup() local
407 delyinv = ny_pppm/yprd; in setup()
486 double yprd = prd[1]; in setup_triclinic() local
954 double yprd = domain->yprd; in set_grid_global() local
1066 h_y = yprd/ny_pppm; in set_grid_global()
1112 double yprd = domain->yprd; in compute_df_kspace() local
1260 double yprd = domain->yprd; in newton_raphson_f() local
1299 double yprd = domain->yprd; in final_accuracy() local
1369 double yprd = prd[1]; in set_grid_local() local
1749 prey *= ny_pppm/yprd; in compute_gf_ad()
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H A Dewald_dipole_spin.cpp138 double yprd = domain->yprd; in init() local
153 g_ewald = accuracy*sqrt(natoms*cutoff*xprd*yprd*zprd) / (2.0*mu2); in init()
160 NewtonSolve(g_ewald,cutoff,natoms,xprd*yprd*zprd,mu2); in init()
173 double lpry = rms(kymax_orig,yprd,natoms,q2); in init()
176 double q2_over_sqrt = q2 / sqrt(natoms*cutoff*xprd*yprd*zprd_slab); in init()
206 double yprd = domain->yprd; in setup() local
213 volume = xprd * yprd * zprd_slab; in setup()
216 unitk[1] = 2.0*MY_PI/yprd; in setup()
240 err = rms_dipole(kymax,yprd,natoms); in setup()
243 err = rms_dipole(kymax,yprd,natoms); in setup()
H A Dewald_dipole.cpp148 double yprd = domain->yprd; in init() local
163 g_ewald = accuracy*sqrt(natoms*cutoff*xprd*yprd*zprd) / (2.0*mu2); in init()
170 NewtonSolve(g_ewald,cutoff,natoms,xprd*yprd*zprd,mu2); in init()
183 double lpry = rms(kymax_orig,yprd,natoms,q2); in init()
186 double q2_over_sqrt = q2 / sqrt(natoms*cutoff*xprd*yprd*zprd_slab); in init()
216 double yprd = domain->yprd; in setup() local
223 volume = xprd * yprd * zprd_slab; in setup()
226 unitk[1] = 2.0*MY_PI/yprd; in setup()
250 err = rms_dipole(kymax,yprd,natoms); in setup()
253 err = rms_dipole(kymax,yprd,natoms); in setup()
/dports/science/lammps/lammps-stable_29Sep2021/src/REPLICA/
H A Dcompute_event_displace.cpp103 double yprd = domain->yprd; in compute_scalar() local
115 dy = x[i][1] + ybox*yprd - xevent[i][1]; in compute_scalar()
165 double yprd = domain->yprd; in all_events() local
177 dy = x[i][1] + ybox*yprd - xevent[i][1]; in all_events()
H A Dcompute_pressure_grem.cpp81 inv_volume = 1.0 / (domain->xprd * domain->yprd * domain->zprd); in compute_scalar()
89 inv_volume = 1.0 / (domain->xprd * domain->yprd); in compute_scalar()
127 inv_volume = 1.0 / (domain->xprd * domain->yprd * domain->zprd); in compute_vector()
136 inv_volume = 1.0 / (domain->xprd * domain->yprd); in compute_vector()
/dports/science/lammps/lammps-stable_29Sep2021/src/DPD-SMOOTH/
H A Dfix_rigid_meso.cpp262 double yprd = domain->yprd; in set_xv() local
291 x1 = x[i][1] + ybox*yprd; in set_xv()
295 x1 = x[i][1] + ybox*yprd + zbox*yz; in set_xv()
328 x[i][1] += xcm[ibody][1] - ybox*yprd; in set_xv()
332 x[i][1] += xcm[ibody][1] - ybox*yprd - zbox*yz; in set_xv()
392 double yprd = domain->yprd; in set_v() local
448 x1 = x[i][1] + ybox*yprd; in set_v()
452 x1 = x[i][1] + ybox*yprd + zbox*yz; in set_v()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddomain.cpp106 yprd(0.0), in Domain()
292 h[1] = yprd; in set_global_box()
792 else dy -= yprd; in minimum_image()
819 dy += yprd; in minimum_image()
822 dy -= yprd; in minimum_image()
881 delta[1] += yprd; in minimum_image()
1002 dy += yprd; in closest_image()
1006 dy -= yprd; in closest_image()
1011 dy -= yprd; in closest_image()
1015 dy += yprd; in closest_image()
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H A Dcompute_pressure.cpp214 inv_volume = 1.0 / (domain->xprd * domain->yprd * domain->zprd); in compute_scalar()
222 inv_volume = 1.0 / (domain->xprd * domain->yprd); in compute_scalar()
255 inv_volume = 1.0 / (domain->xprd * domain->yprd * domain->zprd); in compute_vector()
264 inv_volume = 1.0 / (domain->xprd * domain->yprd); in compute_vector()
H A Dcompute_displace_atom.cpp162 double yprd = domain->yprd; in compute_peratom() local
175 dy = x[i][1] + ybox*yprd - xoriginal[i][1]; in compute_peratom()
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Ddomain.cpp262 h[1] = yprd; in set_global_box()
994 else dy -= yprd; in minimum_image()
1021 dy += yprd; in minimum_image()
1024 dy -= yprd; in minimum_image()
1090 delta[1] += yprd; in minimum_image()
1093 delta[1] -= yprd; in minimum_image()
1310 dy += yprd; in closest_image()
1314 dy -= yprd; in closest_image()
1319 dy -= yprd; in closest_image()
1323 dy += yprd; in closest_image()
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/dports/science/lammps/lammps-stable_29Sep2021/tools/
H A Dmicelle2d.f9015 REAL(KIND=8) :: xprd,yprd,zprd,xboundlo,xboundhi,yboundlo,yboundhi,zboundlo,zboundhi variable
26 IF (y < yboundlo) y = y + yprd
27 IF (y >= yboundhi) y = y - yprd
98 yprd = yboundhi - yboundlo
H A Dchain.f9011 REAL(KIND=8) :: xprd,yprd,zprd,xboundlo,xboundhi,yboundlo,yboundhi,zboundlo,zboundhi variable
22 IF (y < yboundlo) y = y + yprd
23 IF (y >= yboundhi) y = y - yprd
114 yprd = xprd
140 y2 = yboundlo + random(iseed)*yprd
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-COMPUTE/
H A Dcompute_msd_nongauss.cpp63 double yprd = domain->yprd; in compute_vector() local
79 dy = x[i][1] + ybox*yprd - cm[1] - xoriginal[i][1]; in compute_vector()
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-DUMP/
H A Ddump_dcd.cpp168 dim[2] = domain->yprd; in write_header()
197 double yprd = domain->yprd; in pack() local
211 buf[m++] = x[i][1] + iy * yprd + iz * yz; in pack()
215 buf[m++] = x[i][1] + iy * yprd; in pack()
/dports/science/lammps/lammps-stable_29Sep2021/src/POEMS/
H A Dfix_poems.cpp409 double yprd = domain->yprd; in init() local
462 dy = x[i][1] + ybox*yprd - xcm[ibody][1]; in init()
557 dy = x[i][1] + ybox*yprd - xcm[ibody][1]; in init()
590 dy = x[i][1] + ybox*yprd - xcm[ibody][1]; in init()
645 double yprd = domain->yprd; in setup() local
766 double yprd = domain->yprd; in compute_forces_and_torques() local
1331 double yprd = domain->yprd; in set_xv() local
1349 x1 = x[i][1] + ybox*yprd; in set_xv()
1381 x[i][1] += xcm[ibody][1] - ybox*yprd; in set_xv()
1430 double yprd = domain->yprd; in set_v() local
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/POEMS/
H A Dfix_poems.cpp535 double yprd = domain->yprd; in init() local
598 dy = x[i][1] + ybox*yprd - xcm[isegment][1]; in init()
710 dy = x[i][1] + ybox*yprd - xcm[isegment][1]; in init()
743 dy = x[i][1] + ybox*yprd - xcm[isegment][1]; in init()
824 double yprd = domain->yprd; in setup() local
974 double yprd = domain->yprd; in post_force() local
1600 double yprd = domain->yprd; in set_xv() local
1618 x1 = x[i][1] + ybox*yprd; in set_xv()
1652 x[i][1] += xcm[isegment][1] - ybox*yprd; in set_xv()
1709 double yprd = domain->yprd; in set_v() local
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/dports/science/sparta/sparta-20Oct2021/src/KOKKOS/
H A Ddomain_kokkos.h75 xnew[1] += yprd; in collide_kokkos()
79 xnew[1] -= yprd; in collide_kokkos()

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