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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
87 xprd = box(2,1) - box(1,1)
120 common/real_variables/ xprd, yprd, zprd, box(2,3), local
138 xtlabc(1) = xprd
164 common/real_variables/ xprd, yprd, zprd, box(2,3), local
240 xprd = box(2,1) - box(1,1)
250 x(1,i) = buf(3)*xprd + box(1,1)
344 x(1,i) = x(1,i) - xprd*(nint(x(1,i)/xprd))
345 x(2,i) = x(2,i) - xprd*(nint(x(2,i)/yprd))
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H A Dmkdcd.f12 real*8 xprd,yprd,zprd,box(2,3) variable
99 xprd = box(2,1) - box(1,1)
140 xtlabc(1) = xprd
230 xprd = box(2,1) - box(1,1)
237 x(1,itag) = buf(3)*xprd + box(1,1)
314 x(1,i) = x(1,i) - xprd*(nint(x(1,i)/xprd))
H A Dmkpdb.f12 real*8 xprd,yprd,zprd,box(2,3) variable
147 shiftx = shiftx + (x(1,i) + mytrue(1,i)*xprd)*mass(type(i))
176 1 (x(1,i) + mytrue(1,i)*xprd)*mass(type(i))
193 nboxx(i) = nint(comx(i)/xprd)
202 xx = x(1,i) + (mytrue(1,i) - nboxx(imolecule))*xprd
267 xprd = box(2,1) - box(1,1)
275 x(1,itag) = buf(3)*xprd + box(1,1)
/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()
727 dx = pbc[0]*domain->xprd; in pack_comm()
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H A Dfix_minimize_kokkos.cpp100 auto xprd = domain->xprd; in reset_coords() local
126 if (dx < 0.0) dx += xprd; in reset_coords()
127 else dx -= xprd; in reset_coords()
170 if (dx < 0.0) dx += xprd; in reset_coords()
171 else dx -= xprd; in reset_coords()
H A Dfix_nh_kokkos.cpp446 domain->xz < -TILTMAX*domain->xprd || in remap()
447 domain->xz > TILTMAX*domain->xprd || in remap()
448 domain->xy < -TILTMAX*domain->xprd || in remap()
449 domain->xy > TILTMAX*domain->xprd) in remap()
674 double xprd = domain->xprd; in pre_exchange() local
680 double xtiltmax = (0.5+DELTAFLIP)*xprd; in pre_exchange()
700 domain->xz += xprd; in pre_exchange()
703 domain->xz -= xprd; in pre_exchange()
707 domain->xy += xprd; in pre_exchange()
710 domain->xy -= xprd; in pre_exchange()
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()
1057 dx = pbc[0]*domain->xprd; in pack_comm()
1086 dx = pbc[0]*domain->xprd; in pack_comm()
1134 dx = pbc[0]*domain->xprd; in pack_comm_vel()
1199 dx = pbc[0]*domain->xprd; in pack_comm_vel()
1498 dx = pbc[0]*domain->xprd; in pack_border_kokkos()
1568 dx = pbc[0]*domain->xprd; in pack_border()
1692 dx = pbc[0]*domain->xprd; in pack_border_vel_kokkos()
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/dports/math/R-cran-RcppArmadillo/RcppArmadillo/inst/examples/kalman/
H A DKalman.cpp30 mat xprd, pprd, S, B, kalmangain; in estimate() local
36 xprd = A * xest; in estimate()
43 xest = xprd + kalmangain * (z - H * xprd); in estimate()
H A DKalmanRimp.R6 xprd <- xest %*% A functionVar
17 xest <<- xprd + (z - xprd %*% H) %*% kalmangain
H A DFirstKalmanR.R14 xprd <- A %*% xest # predicted state and covriance functionVar
22 xest <<- xprd + kalmangain %*% (z - H %*% xprd)
H A DKalmanR.R5 xprd <- A %*% xest functionVar
16 xest <<- xprd + kalmangain %*% (z - H %*% xprd)
/dports/science/lammps/lammps-stable_29Sep2021/tools/
H A Dchain.f9011 REAL(KIND=8) :: xprd,yprd,zprd,xboundlo,xboundhi,yboundlo,yboundhi,zboundlo,zboundhi variable
20 IF (x < xboundlo) x = x + xprd
21 IF (x >= xboundhi) x = x - xprd
113 xprd = volume**(1.0/3.0)
114 yprd = xprd
115 zprd = xprd
117 xboundlo = -xprd/2.0
139 x2 = xboundlo + random(iseed)*xprd
H A Dmicelle2d.f9015 REAL(KIND=8) :: xprd,yprd,zprd,xboundlo,xboundhi,yboundlo,yboundhi,zboundlo,zboundhi variable
24 IF (x < xboundlo) x = x + xprd
25 IF (x >= xboundhi) x = x - xprd
97 xprd = xboundhi - xboundlo
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dpppm_stagger.cpp287 const double xprd = prd[0]; in compute_qopt() local
291 const double unitkx = (MY_2PI/xprd); in compute_qopt()
336 argx = 0.5*qx*xprd/nx_pppm; in compute_qopt()
383 const double xprd = prd[0]; in compute_qopt_ad() local
422 argx = 0.5*qx*xprd/nx_pppm; in compute_qopt_ad()
492 const double xprd = prd[0]; in compute_gf_ik() local
579 const double xprd = prd[0]; in compute_gf_ad() local
622 argx = 0.5*qx*xprd/nx_pppm; in compute_gf_ad()
656 prex *= nx_pppm/xprd; in compute_gf_ad()
840 double xprd = prd[0]; in fieldforce_ad() local
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H A Dpppm.cpp400 double xprd = prd[0]; in setup() local
406 delxinv = nx_pppm/xprd; in setup()
485 double xprd = prd[0]; in setup_triclinic() local
953 double xprd = domain->xprd; in set_grid_global() local
1065 h_x = xprd/nx_pppm; in set_grid_global()
1111 double xprd = domain->xprd; in compute_df_kspace() local
1259 double xprd = domain->xprd; in newton_raphson_f() local
1298 double xprd = domain->xprd; in final_accuracy() local
1368 double xprd = prd[0]; in set_grid_local() local
1748 prex *= nx_pppm/xprd; in compute_gf_ad()
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/dports/science/lammps/lammps-stable_29Sep2021/src/REPLICA/
H A Dcompute_event_displace.cpp102 double xprd = domain->xprd; in compute_scalar() local
114 dx = x[i][0] + xbox*xprd - xevent[i][0]; in compute_scalar()
164 double xprd = domain->xprd; in all_events() local
176 dx = x[i][0] + xbox*xprd - xevent[i][0]; 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.cpp261 double xprd = domain->xprd; in set_xv() local
290 x0 = x[i][0] + xbox*xprd; in set_xv()
294 x0 = x[i][0] + xbox*xprd + ybox*xy + zbox*xz; in set_xv()
327 x[i][0] += xcm[ibody][0] - xbox*xprd; in set_xv()
331 x[i][0] += xcm[ibody][0] - xbox*xprd - ybox*xy - zbox*xz; in set_xv()
391 double xprd = domain->xprd; in set_v() local
447 x0 = x[i][0] + xbox*xprd; in set_v()
451 x0 = x[i][0] + xbox*xprd + ybox*xy + zbox*xz; in set_v()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddomain.cpp105 xprd(0.0), in Domain()
291 h[0] = xprd; in set_global_box()
298 prd_half[0] = xprd_half = 0.5*xprd; in set_global_box()
785 if (dx < 0.0) dx += xprd; in minimum_image()
786 else dx -= xprd; in minimum_image()
829 if (dx < 0.0) dx += xprd; in minimum_image()
830 else dx -= xprd; in minimum_image()
848 else delta[0] -= xprd; in minimum_image()
892 else delta[0] -= xprd; in minimum_image()
1262 x[0] += xbox*xprd; in unmap()
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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()
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Ddomain.cpp261 h[0] = xprd; in set_global_box()
987 if (dx < 0.0) dx += xprd; in minimum_image()
988 else dx -= xprd; in minimum_image()
1031 if (dx < 0.0) dx += xprd; in minimum_image()
1032 else dx -= xprd; in minimum_image()
1057 else delta[0] -= xprd; in minimum_image()
1101 else delta[0] -= xprd; in minimum_image()
1121 else delta[0] -= xprd; in minimum_image_once()
1165 else delta[0] -= xprd; in minimum_image_once()
1570 x[0] += xbox*xprd; in unmap()
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-COMPUTE/
H A Dcompute_msd_nongauss.cpp62 double xprd = domain->xprd; in compute_vector() local
78 dx = x[i][0] + xbox*xprd - cm[0] - xoriginal[i][0]; in compute_vector()
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-DUMP/
H A Ddump_dcd.cpp167 dim[0] = domain->xprd; in write_header()
196 double xprd = domain->xprd; in pack() local
210 buf[m++] = x[i][0] + ix * xprd + iy * xy + iz * xz; in pack()
214 buf[m++] = x[i][0] + ix * xprd; in pack()
/dports/science/lammps/lammps-stable_29Sep2021/src/POEMS/
H A Dfix_poems.cpp408 double xprd = domain->xprd; in init() local
461 dx = x[i][0] + xbox*xprd - xcm[ibody][0]; in init()
556 dx = x[i][0] + xbox*xprd - xcm[ibody][0]; in init()
589 dx = x[i][0] + xbox*xprd - xcm[ibody][0]; in init()
644 double xprd = domain->xprd; in setup() local
765 double xprd = domain->xprd; in compute_forces_and_torques() local
1330 double xprd = domain->xprd; in set_xv() local
1348 x0 = x[i][0] + xbox*xprd; in set_xv()
1380 x[i][0] += xcm[ibody][0] - xbox*xprd; in set_xv()
1429 double xprd = domain->xprd; in set_v() local
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/POEMS/
H A Dfix_poems.cpp534 double xprd = domain->xprd; in init() local
597 dx = x[i][0] + xbox*xprd - xcm[isegment][0]; in init()
709 dx = x[i][0] + xbox*xprd - xcm[isegment][0]; in init()
742 dx = x[i][0] + xbox*xprd - xcm[isegment][0]; in init()
823 double xprd = domain->xprd; in setup() local
973 double xprd = domain->xprd; in post_force() local
1599 double xprd = domain->xprd; in set_xv() local
1617 x0 = x[i][0] + xbox*xprd; in set_xv()
1651 x[i][0] += xcm[isegment][0] - xbox*xprd; in set_xv()
1708 double xprd = domain->xprd; in set_v() local
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