/dports/math/creme/Creme-ab42f19/Creme/src/Base/ |
H A D | move.c | 32 #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 …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | atom_admm_methods.F | 360 " 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 …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | atom_admm_methods.F | 360 " 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 …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | exx_base.f90 | 188 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 …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | sym_band.f90 | 53 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 )
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H A D | pw2wannier90.f90 | 1704 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 …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.0/ |
H A D | pw2wannier90.f90 | 1606 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 …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v3.2.3/ |
H A D | pw2wannier90.f90 | 828 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)
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/dports/science/InsightToolkit/ITK-5.0.1/Modules/ThirdParty/VNL/src/vxl/v3p/netlib/linalg/ |
H A D | lsqrBase.cxx | 489 double dxk = fabs( phi* dknorm ); in Solve() local 490 if ( this->dxmax < dxk) in Solve() 492 this->dxmax = dxk; in Solve()
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/dports/misc/vxl/vxl-3.3.2/v3p/netlib/linalg/ |
H A D | lsqrBase.cxx | 489 double dxk = fabs( phi* dknorm ); in Solve() local 490 if ( this->dxmax < dxk) in Solve() 492 this->dxmax = dxk; in Solve()
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/dports/math/casadi/casadi-3.5.5/casadi/solvers/ |
H A D | scpgen.cpp | 703 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()
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H A D | scpgen.hpp | 45 double *dxk, *dlam, *gfk, *gL, *b_gn; member
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/dports/math/casadi/casadi-3.5.5/casadi/interfaces/blocksqp/ |
H A D | blocksqp.cpp | 783 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 …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.2.1/ |
H A D | pw2wannier90.f90 | 1653 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 …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.3/ |
H A D | pw2wannier90.f90 | 1689 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 …]
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H A D | pw2wannier90_legacy.f90 | 1666 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 …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.4/ |
H A D | pw2wannier90.f90 | 1689 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 …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.5/ |
H A D | pw2wannier90.f90 | 1688 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 …]
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.0/ |
H A D | pw2wannier90.f90 | 848 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)
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.1/ |
H A D | pw2wannier90.f90 | 848 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)
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/dports/net/mpich/mpich-3.4.3/modules/hwloc/contrib/android/AndroidApp/lstopo/src/main/java/com/hwloc/lstopo/ZoomView/ |
H A D | ZoomView.java | 334 final float dxk = 0.5f * (dx1 + dx2); in processDoubleTouchEvent() local 336 smoothZoomTo(Math.max(1.0f, zoom * d / (d - dd)), zoomX - dxk in processDoubleTouchEvent()
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/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 D | ZoomView.java | 334 final float dxk = 0.5f * (dx1 + dx2); in processDoubleTouchEvent() local 336 smoothZoomTo(Math.max(1.0f, zoom * d / (d - dd)), zoomX - dxk in processDoubleTouchEvent()
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/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 D | ZoomView.java | 334 final float dxk = 0.5f * (dx1 + dx2); in processDoubleTouchEvent() local 336 smoothZoomTo(Math.max(1.0f, zoom * d / (d - dd)), zoomX - dxk in processDoubleTouchEvent()
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/dports/science/tinker/tinker/source/ |
H A D | esolv.f | 560 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)
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H A D | esolv3.f | 714 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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