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Searched refs:dxk (Results 1 – 25 of 80) sorted by relevance

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/dports/math/creme/Creme-ab42f19/Creme/src/Base/
H A Dmove.c32 #pragma disjoint (*dxk, *ip, z, *ic) in build_dxk_block()
46 build_dxk_block (ip, ic, dxk, z); in build_dxk()
165 free (dxk); in move()
179 dxk = (double *) malloc (c * sizeof (double)); in move()
181 for (i=c; i>0; i--) *dxk++ = 0.0; in move()
183 dxk -= c; in move()
202 build_dxk ((lp->il) [*block], ip, ic, dxk, z); in move()
212 for (i=c; i>0; --i) *dx0++ = *dxk++; in move()
213 dxk -= c; in move()
217 for (i=c; i>0; --i) *dxk++ = 0; in move()
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Datom_admm_methods.F360 " Error: ", dxk
363 " Error: ", dxk - dxc
366 " Error: ", dxk - dxc
369 " Error: ", dxk - dxc
373 " Error: ", dxk
376 " Error: ", dxk - dxc
379 " Error: ", dxk - dxc
382 " Error: ", dxk - dxc
386 " Error: ", dxk
389 " Error: ", dxk - dxc
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Datom_admm_methods.F360 " Error: ", dxk
363 " Error: ", dxk - dxc
366 " Error: ", dxk - dxc
369 " Error: ", dxk - dxc
373 " Error: ", dxk
376 " Error: ", dxk - dxc
379 " Error: ", dxk - dxc
382 " Error: ", dxk - dxc
386 " Error: ", dxk
389 " Error: ", dxk - dxc
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dexx_base.f90188 REAL(DP) :: sxk(3), dxk(3), xk_cryst(3) local
257 IF ( ABS(dxk(1))<=eps .AND. &
258 ABS(dxk(2))<=eps .AND. &
275 IF ( ABS(dxk(1))<=eps .AND. &
276 ABS(dxk(2))<=eps .AND. &
298 nkqs, temp_index_ikq, dxk)
301 IF (ALL(ABS(dxk) < eps ) ) THEN
422 REAL(DP), INTENT (OUT) :: dxk(:) local
601 dxk(:) = s(:,1,isym)*xkk_cryst(1) + &
604 dxk(:) = dxk(:) - NINT(dxk(:))
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dsym_band.f9053 REAL(DP) :: dxk(3), dkmod, dkmod_save, modk1, modk2, k1(3), k2(3), ps local
188 dxk(:) = xk(:,nks1tot+1) - xk(:,nks1tot)
189 dkmod_save = sqrt( dxk(1)**2 + dxk(2)**2 + dxk(3)**2 )
200 dxk(:) = xk(:,ik) - xk(:,ik-1)
201 dkmod= sqrt( dxk(1)**2 + dxk(2)**2 + dxk(3)**2 )
H A Dpw2wannier90.f901704 ALLOCATE (dxk(3,nbt))
1715 dxk(:,ind) = 0d0!xk(:,ikp) +g_(:) - xk(:,ik)
1716 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1728 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1929 DEALLOCATE (Mkb, dxk, phase)
1990 real(DP), ALLOCATABLE :: qg(:), ylm(:,:), dxk(:,:) local
2049 ALLOCATE (dxk(3,nbt))
2059 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
2060 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
2069 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
[all …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.0/
H A Dpw2wannier90.f901606 ALLOCATE (dxk(3,nbt))
1617 dxk(:,ind) = 0d0!xk(:,ikp) +g_(:) - xk(:,ik)
1618 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1630 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1827 DEALLOCATE (Mkb, dxk, phase)
1889 real(DP), ALLOCATABLE :: qg(:), ylm(:,:), dxk(:,:), workg(:) local
1950 ALLOCATE (dxk(3,nbt))
1960 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
1961 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1974 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
[all …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v3.2.3/
H A Dpw2wannier90.f90828 real(DP), allocatable :: qg(:), ylm(:,:), dxk(:,:) local
891 allocate (dxk(3,nbt))
901 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
902 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
914 call ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1027 arg = DOT_PRODUCT( dxk(:,ind), tau(:,na) ) * tpi
1158 deallocate (Mkb, dxk, phase, igkq)
/dports/science/InsightToolkit/ITK-5.0.1/Modules/ThirdParty/VNL/src/vxl/v3p/netlib/linalg/
H A DlsqrBase.cxx489 double dxk = fabs( phi* dknorm ); in Solve() local
490 if ( this->dxmax < dxk) in Solve()
492 this->dxmax = dxk; in Solve()
/dports/misc/vxl/vxl-3.3.2/v3p/netlib/linalg/
H A DlsqrBase.cxx489 double dxk = fabs( phi* dknorm ); in Solve() local
490 if ( this->dxmax < dxk) in Solve()
492 this->dxmax = dxk; in Solve()
/dports/math/casadi/casadi-3.5.5/casadi/solvers/
H A Dscpgen.cpp703 m->dxk = w; w += nx_; in set_work()
1148 m->res[CONIC_X] = m->dxk; // Condensed primal step in solve_qp()
1170 double gain = casadi_bilin(m->qpH, spH_, m->dxk, m->dxk); in line_search()
1180 double F_sens = casadi_dot(nx_, m->dxk, m->gfk); in line_search()
1211 casadi_axpy(nx_, dt, m->dxk, d_nlp->z); in line_search()
1248 m->pr_step = casadi_norm_1(nx_, m->dxk); in line_search()
1266 m->arg[mod_du_] = m->dxk; // Primal step in eval_exp()
H A Dscpgen.hpp45 double *dxk, *dlam, *gfk, *gL, *b_gn; member
/dports/math/casadi/casadi-3.5.5/casadi/interfaces/blocksqp/
H A Dblocksqp.cpp783 infoQP = solveQP(m, m->dxk, m->lam_qp); in run()
792 infoQP = solveQP(m, m->dxk, m->lam_qp); in run()
1105 acceptStep(m, m->dxk, m->lam_qp, alpha, 0); in acceptStep()
1121 m->dxk[k] = alpha * deltaXi[k]; in acceptStep()
1190 m->trial_xk[i] = d_nlp->z[i] + alpha * m->dxk[i]; in fullstep()
1236 dfTdeltaXi += m->grad_fk[i] * m->dxk[i]; in filterLineSearch()
1593 m->dxk[k] = d_nlp->z[k]; in feasibilityRestorationPhase()
1603 m->dxk[k] -= d_nlp->z[k]; in feasibilityRestorationPhase()
1662 m->trial_xk[i] = d_nlp->z[i] + m->dxk[i]; in kktErrorReduction()
2599 print("%-10.2e", casadi_norm_inf(nx_, m->dxk)); in printProgress()
[all …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.2.1/
H A Dpw2wannier90.f901653 ALLOCATE (dxk(3,nbt))
1664 dxk(:,ind) = 0d0!xk(:,ikp) +g_(:) - xk(:,ik)
1665 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1677 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1878 DEALLOCATE (Mkb, dxk, phase)
1940 real(DP), ALLOCATABLE :: qg(:), ylm(:,:), dxk(:,:), workg(:) local
2001 ALLOCATE (dxk(3,nbt))
2011 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
2012 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
2025 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
[all …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.3/
H A Dpw2wannier90.f901689 ALLOCATE (dxk(3,nbt))
1700 dxk(:,ind) = 0d0!xk(:,ikp) +g_(:) - xk(:,ik)
1701 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1713 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1914 DEALLOCATE (Mkb, dxk, phase)
1975 real(DP), ALLOCATABLE :: qg(:), ylm(:,:), dxk(:,:) local
2035 ALLOCATE (dxk(3,nbt))
2045 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
2046 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
2055 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
[all …]
H A Dpw2wannier90_legacy.f901666 ALLOCATE (dxk(3,nbt))
1677 dxk(:,ind) = 0d0!xk(:,ikp) +g_(:) - xk(:,ik)
1678 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1690 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1891 DEALLOCATE (Mkb, dxk, phase)
1952 real(DP), ALLOCATABLE :: qg(:), ylm(:,:), dxk(:,:) local
2012 ALLOCATE (dxk(3,nbt))
2022 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
2023 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
2032 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
[all …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.4/
H A Dpw2wannier90.f901689 ALLOCATE (dxk(3,nbt))
1700 dxk(:,ind) = 0d0!xk(:,ikp) +g_(:) - xk(:,ik)
1701 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1713 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1914 DEALLOCATE (Mkb, dxk, phase)
1975 real(DP), ALLOCATABLE :: qg(:), ylm(:,:), dxk(:,:) local
2035 ALLOCATE (dxk(3,nbt))
2045 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
2046 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
2055 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
[all …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.5/
H A Dpw2wannier90.f901688 ALLOCATE (dxk(3,nbt))
1699 dxk(:,ind) = 0d0!xk(:,ikp) +g_(:) - xk(:,ik)
1700 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
1712 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1913 DEALLOCATE (Mkb, dxk, phase)
1974 real(DP), ALLOCATABLE :: qg(:), ylm(:,:), dxk(:,:) local
2033 ALLOCATE (dxk(3,nbt))
2043 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
2044 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
2053 CALL ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
[all …]
/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.0/
H A Dpw2wannier90.f90848 real(DP), allocatable :: qg(:), ylm(:,:), dxk(:,:) local
914 allocate (dxk(3,nbt))
924 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
925 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
937 call ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1052 arg = DOT_PRODUCT( dxk(:,ind), tau(:,na) ) * tpi
1187 deallocate (Mkb, dxk, phase, igkq)
/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.1/
H A Dpw2wannier90.f90848 real(DP), allocatable :: qg(:), ylm(:,:), dxk(:,:) local
914 allocate (dxk(3,nbt))
924 dxk(:,ind) = xk(:,ikp) +g_(:) - xk(:,ik)
925 qg(ind) = dxk(1,ind)*dxk(1,ind)+dxk(2,ind)*dxk(2,ind)+dxk(3,ind)*dxk(3,ind)
937 call ylmr2 (lmaxq*lmaxq, nbt, dxk, qg, ylm)
1052 arg = DOT_PRODUCT( dxk(:,ind), tau(:,na) ) * tpi
1187 deallocate (Mkb, dxk, phase, igkq)
/dports/net/mpich/mpich-3.4.3/modules/hwloc/contrib/android/AndroidApp/lstopo/src/main/java/com/hwloc/lstopo/ZoomView/
H A DZoomView.java334 final float dxk = 0.5f * (dx1 + dx2); in processDoubleTouchEvent() local
336 smoothZoomTo(Math.max(1.0f, zoom * d / (d - dd)), zoomX - dxk in processDoubleTouchEvent()
/dports/net/mpich/mpich-3.4.3/src/pm/hydra2/libhydra/topo/hwloc/hwloc/contrib/android/AndroidApp/lstopo/src/main/java/com/hwloc/lstopo/ZoomView/
H A DZoomView.java334 final float dxk = 0.5f * (dx1 + dx2); in processDoubleTouchEvent() local
336 smoothZoomTo(Math.max(1.0f, zoom * d / (d - dd)), zoomX - dxk in processDoubleTouchEvent()
/dports/net/mpich/mpich-3.4.3/src/pm/hydra/tools/topo/hwloc/hwloc/contrib/android/AndroidApp/lstopo/src/main/java/com/hwloc/lstopo/ZoomView/
H A DZoomView.java334 final float dxk = 0.5f * (dx1 + dx2); in processDoubleTouchEvent() local
336 smoothZoomTo(Math.max(1.0f, zoom * d / (d - dd)), zoomX - dxk in processDoubleTouchEvent()
/dports/science/tinker/tinker/source/
H A Desolv.f560 real*8 dxk,dyk,dzk local
656 dxk = uinds(1,kk)
886 esymi = -uxi*(dxk*gux(2)+dyk*guy(2)+dzk*guz(2))
887 & - uyi*(dxk*gux(3)+dyk*guy(3)+dzk*guz(3))
888 & - uzi*(dxk*gux(4)+dyk*guy(4)+dzk*guz(4))
892 ewii = ci*(dxk*gc(2)+dyk*gc(3)+dzk*gc(4))
900 & + dxk*(qxxi*gqxx(2)+qyyi*gqyy(2)+qzzi*gqzz(2)
906 ewki = ci*(dxk*gux(1)+dyk*guy(1)+dzk*guz(1))
914 & + dxk*(qxxi*gux(5)+qyyi*gux(8)+qzzi*gux(10)
H A Desolv3.f714 real*8 dxk,dyk,dzk local
824 dxk = uinds(1,kk)
1054 esymi = -uxi*(dxk*gux(2)+dyk*guy(2)+dzk*guz(2))
1055 & - uyi*(dxk*gux(3)+dyk*guy(3)+dzk*guz(3))
1056 & - uzi*(dxk*gux(4)+dyk*guy(4)+dzk*guz(4))
1060 ewii = ci*(dxk*gc(2)+dyk*gc(3)+dzk*gc(4))
1068 & + dxk*(qxxi*gqxx(2)+qyyi*gqyy(2)+qzzi*gqzz(2)
1074 ewki = ci*(dxk*gux(1)+dyk*guy(1)+dzk*guz(1))
1082 & + dxk*(qxxi*gux(5)+qyyi*gux(8)+qzzi*gux(10)

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