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/dports/science/tinker/tinker/source/
H A Dimage.f105 zr = zr - sign(zbox,zr)
122 zr = zr - root2*zbox*nint(zr/(zbox*root2))
124 & +abs(root2*zr/zbox))
160 zmove = icell(3,i) * zbox
232 zr = zr - sign(zbox,zr)
249 zr = zr - root2*zbox*nint(zr/(zbox*root2))
288 zr = zr - zbox*nint(zr/zbox)
298 zr = zr - zbox*nint(zr/zbox)
311 zr = zr - zbox*nint(zr/zbox)
321 zr = zr - zbox*nint(zr/zbox)
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H A Dunitcell.f62 if (zbox .eq. 0.0d0) read (string,*,err=10,end=10) zbox
68 if (zbox .eq. 0.0d0) read (string,*,err=10,end=10) zbox
89 boxmax = max(xbox,ybox,zbox)
97 if (zbox .eq. 0.0d0) zbox = boxmax
125 zbox = xbox
127 zbox = xbox * root2
H A Dlattice.f35 zbox2 = 0.5d0 * zbox
42 zcell = zbox
82 volbox = (gamma_sin*gamma_term) * xbox * ybox * zbox
84 volbox = beta_sin * xbox * ybox * zbox
86 volbox = xbox * ybox * zbox
97 cr1 = zbox * beta_cos
98 cr2 = zbox * beta_term
99 cr3 = zbox * gamma_term
H A Dbounds.f75 zfrac = zfrac - root2*zbox*nint(zfrac/(zbox*root2))
77 & +abs(root2*zfrac/zbox))
84 zfrac = zfrac - zbox*nint(zfrac/zbox)
93 zfrac = zfrac - zbox*nint(zfrac/zbox)
H A Dpressure.f179 zboxold = zbox
210 zbox = zbox * scale
332 temp3(1,3) = zbox * beta_cos
333 temp3(2,3) = zbox * beta_term
334 temp3(3,3) = zbox * gamma_term
368 zbox = zbox * scale
525 zbox = zboxold
614 zbox = zbox * scale
681 temp(1,3) = zbox * beta_cos
682 temp(2,3) = zbox * beta_term
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H A Dxtalmin.f99 write (iout,50) xbox,ybox,zbox,alpha,beta,gamma
121 scale(nvar) = 12.0d0 * zbox
125 scale(nvar+3) = 4.0d0 * sqrt(zbox)
158 xx(nvar+3) = zbox * scale(nvar+3)
261 write (iout,120) xbox,ybox,zbox,alpha,beta,gamma
269 write (iout,130) xbox,ybox,zbox,alpha,beta,gamma
348 zbox = xx(3*n+3) / scale(3*n+3)
431 old = zbox
432 zbox = zbox - 0.5d0*eps
440 zbox = zbox + eps
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H A Dreadxyz.f149 zbox = zlen
153 boxmax = max(xbox,ybox,zbox)
157 if (zbox .eq. 0.0d0) zbox = boxmax
H A Dreplica.f50 xlimit = volbox / (2.0d0*ybox*zbox*alpha_sin)
51 ylimit = volbox / (2.0d0*xbox*zbox*beta_sin)
99 zcell = dble(nz) * zbox
/dports/science/lammps/lammps-stable_29Sep2021/src/REPLICA/
H A Dcompute_event_displace.cpp105 int xbox,ybox,zbox; in compute_scalar() local
113 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_scalar()
116 dz = x[i][2] + zbox*zprd - xevent[i][2]; in compute_scalar()
128 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_scalar()
130 dy = x[i][1] + h[1]*ybox + h[3]*zbox - xevent[i][1]; in compute_scalar()
131 dz = x[i][2] + h[2]*zbox - xevent[i][2]; in compute_scalar()
167 int xbox,ybox,zbox; in all_events() local
175 zbox = (image[i] >> IMG2BITS) - IMGMAX; in all_events()
178 dz = x[i][2] + zbox*zprd - xevent[i][2]; in all_events()
187 zbox = (image[i] >> IMG2BITS) - IMGMAX; in all_events()
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-COMPUTE/
H A Dcompute_msd_nongauss.cpp67 int xbox,ybox,zbox; in compute_vector() local
77 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_vector()
80 dz = x[i][2] + zbox*zprd - cm[2] - xoriginal[i][2]; in compute_vector()
90 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_vector()
91 dx = x[i][0] + h[0]*xbox + h[5]*ybox + h[4]*zbox - in compute_vector()
93 dy = x[i][1] + h[1]*ybox + h[3]*zbox - cm[1] - xoriginal[i][1]; in compute_vector()
94 dz = x[i][2] + h[2]*zbox - cm[2] - xoriginal[i][2]; in compute_vector()
/dports/mail/dovecot/dovecot-2.3.17/src/plugins/zlib/
H A Dzlib-plugin.c199 union mailbox_module_context *zbox = ZLIB_CONTEXT(box); in zlib_mail_save_finish() local
205 if (zbox->super.save_finish(ctx) < 0) in zlib_mail_save_finish()
228 union mailbox_module_context *zbox = ZLIB_CONTEXT(box); in zlib_mail_save_compress_begin() local
231 if (zbox->super.save_begin(ctx, input) < 0) in zlib_mail_save_compress_begin()
289 union mailbox_module_context *zbox = ZLIB_CONTEXT(box); in zlib_mailbox_open() local
296 return zbox->super.open(box); in zlib_mailbox_open()
301 union mailbox_module_context *zbox = ZLIB_CONTEXT(box); in zlib_mailbox_close() local
306 zbox->super.close(box); in zlib_mailbox_close()
312 union mailbox_module_context *zbox; in zlib_mailbox_allocated() local
315 zbox->super = *v; in zlib_mailbox_allocated()
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/dports/science/lammps/lammps-stable_29Sep2021/src/DPD-SMOOTH/
H A Dfix_rigid_meso.cpp243 int xbox,ybox,zbox; in set_xv() local
284 zbox = (xcmimage[i] >> IMG2BITS) - IMGMAX; in set_xv()
292 x2 = x[i][2] + zbox*zprd; in set_xv()
295 x1 = x[i][1] + ybox*yprd + zbox*yz; in set_xv()
296 x2 = x[i][2] + zbox*zprd; in set_xv()
329 x[i][2] += xcm[ibody][2] - zbox*zprd; in set_xv()
333 x[i][2] += xcm[ibody][2] - zbox*zprd; in set_xv()
374 int xbox,ybox,zbox; in set_v() local
449 x2 = x[i][2] + zbox*zprd; in set_v()
452 x1 = x[i][1] + ybox*yprd + zbox*yz; in set_v()
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Ddomain_kokkos.h77 int zbox = (image >> IMG2BITS) - IMGMAX; in unmap() local
82 y[2] = x[2] + zbox*prd[2]; in unmap()
84 y[0] = x[0] + h[0]*xbox + h[5]*ybox + h[4]*zbox; in unmap()
85 y[1] = x[1] + h[1]*ybox + h[3]*zbox; in unmap()
86 y[2] = x[2] + h[2]*zbox; in unmap()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dcompute_displace_atom.cpp165 int xbox,ybox,zbox; in compute_peratom() local
173 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_peratom()
176 dz = x[i][2] + zbox*zprd - xoriginal[i][2]; in compute_peratom()
189 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_peratom()
190 dx = x[i][0] + h[0]*xbox + h[5]*ybox + h[4]*zbox - xoriginal[i][0]; in compute_peratom()
191 dy = x[i][1] + h[1]*ybox + h[3]*zbox - xoriginal[i][1]; in compute_peratom()
192 dz = x[i][2] + h[2]*zbox - xoriginal[i][2]; in compute_peratom()
H A Dcompute_msd.cpp195 int xbox,ybox,zbox; in compute_vector() local
205 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_vector()
208 dz = x[i][2] + zbox*zprd - cm[2] - xoriginal[i][2]; in compute_vector()
220 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_vector()
221 dx = x[i][0] + h[0]*xbox + h[5]*ybox + h[4]*zbox - in compute_vector()
223 dy = x[i][1] + h[1]*ybox + h[3]*zbox - cm[1] - xoriginal[i][1]; in compute_vector()
224 dz = x[i][2] + h[2]*zbox - cm[2] - xoriginal[i][2]; in compute_vector()
/dports/devel/ga/ga-5.8/global/examples/md_cluster/
H A Dcell_list.F47 zcl = zbox / dble(idz)
75 + (idz.eq.2.and.zcl*dble(iz).ge.0.5d00*zbox/dble(idz))) then
89 zmax = zbox * dble(ipz+1)/dble(idz)
95 zmin = zbox * dble(ipz)/dble(idz)
191 zl = zl - zbox * anint(zl/zbox)
196 zu = zu - zbox * anint(zu/zbox)
310 dz(l) = dz(l) - zbox * anint(dz(l)/zbox)
319 bdz(lb) = bdz(lb) - zbox * anint(bdz(lb)/zbox)
392 zcell = zbox / dble(idz)
489 dz = dz - zbox * anint(dz/zbox)
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H A Dnextc.F282 scale = xbox * ybox * zbox
288 zbox = scale * zbox
383 scale = vol1 / (xbox * ybox * zbox)
387 zbox = scale * zbox
400 zbox = alen1(3)
403 zbox2 = zbox/2.0d00
484 vol1 = xbox * ybox * zbox
490 alen1(3) = zbox
659 vol1 = alen1(1)*alen1(2)*zbox
705 rbuf(5) = zbox
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H A Drdpar.F403 read(2,*) xbox,ybox,zbox
406 zbox2 = zbox/2.0d00
409 if (xbox.lt.ybox.and.xbox.lt.zbox) then
411 else if (ybox.lt.xbox.and.ybox.lt.zbox) then
458 write(6,1000) xbox,ybox,zbox
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dcompute_displace_atom.cpp165 int xbox,ybox,zbox; in compute_peratom() local
173 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_peratom()
176 dz = x[i][2] + zbox*zprd - xoriginal[i][2]; in compute_peratom()
189 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_peratom()
190 dx = x[i][0] + h[0]*xbox + h[5]*ybox + h[4]*zbox - xoriginal[i][0]; in compute_peratom()
191 dy = x[i][1] + h[1]*ybox + h[3]*zbox - xoriginal[i][1]; in compute_peratom()
192 dz = x[i][2] + h[2]*zbox - xoriginal[i][2]; in compute_peratom()
H A Dcompute_msd.cpp170 int xbox,ybox,zbox; in compute_vector() local
191 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_vector()
194 ztmp = x[i][2] + zbox*zprd - cm[2]; in compute_vector()
218 zbox = (image[i] >> IMG2BITS) - IMGMAX; in compute_vector()
219 xtmp = x[i][0] + h[0]*xbox + h[5]*ybox + h[4]*zbox - cm[0]; in compute_vector()
220 ytmp = x[i][1] + h[1]*ybox + h[3]*zbox - cm[1]; in compute_vector()
221 ztmp = x[i][2] + h[2]*zbox - cm[2]; in compute_vector()
/dports/science/tinker/tinker/other/
H A Dxtalhess.f46 write (iout,10) xbox,ybox,zbox,alpha,beta,gamma
64 scale(nvar) = 12.0d0 * zbox
74 scale(nvar+3) = 4.0d0 * sqrt(zbox)
97 xx(nvar+3) = zbox * scale(nvar+3)
209 zbox = xx(3*n+3) / scale(3*n+3)
284 old = zbox
285 zbox = zbox - 0.5d0*eps
293 zbox = zbox + eps
302 zbox = old
H A Dpressure.aniso-mc183 zboxold = zbox
214 zbox = zbox * scale
373 zbox = zbox * scale
525 zbox = zboxold
617 zbox = zbox * scale
839 zboxold = zbox
916 zbox = zboxold * sneg
936 zbox = zboxold
997 zbox = zboxold
1026 zbox = zboxold
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H A Dxtalmin.alt127 write (iout,40) xbox,ybox,zbox,alpha,beta,gamma
144 x_lat(3) = zbox
165 zbox = x_lat(3)
368 zbox = xx(3)
400 old = zbox
401 zbox = zbox - 0.5d0*eps
404 zbox = zbox + eps
408 zbox = old
/dports/science/lammps/lammps-stable_29Sep2021/src/POEMS/
H A Dfix_poems.cpp412 int xbox,ybox,zbox; in init() local
423 zbox = (image[i] >> IMG2BITS) - IMGMAX; in init()
460 zbox = (image[i] >> IMG2BITS) - IMGMAX; in init()
648 int xbox,ybox,zbox; in setup() local
757 int xbox,ybox,zbox; in compute_forces_and_torques() local
1318 int xbox,ybox,zbox; in set_xv() local
1343 zbox = (image[i] >> IMG2BITS) - IMGMAX; in set_xv()
1350 x2 = x[i][2] + zbox*zprd; in set_xv()
1382 x[i][2] += xcm[ibody][2] - zbox*zprd; in set_xv()
1416 int xbox,ybox,zbox; in set_v() local
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/POEMS/
H A Dfix_poems.cpp538 int xbox,ybox,zbox; in init() local
549 zbox = (image[i] >> 20) - 512; in init()
596 zbox = (image[i] >> 20) - 512; in init()
708 zbox = (image[i] >> 20) - 512; in init()
827 int xbox,ybox,zbox; in setup() local
965 int xbox,ybox,zbox; in post_force() local
1586 int xbox,ybox,zbox; in set_xv() local
1612 zbox = (image[i] >> 20) - 512; in set_xv()
1619 x2 = x[i][2] + zbox*zprd; in set_xv()
1694 int xbox,ybox,zbox; in set_v() local
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