/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | conjgr.f | 18 subroutine conjgr(N,X,G,dxmax,GTOL,cntrol,H) argument 48 real(dp), intent(in) :: dxmax(n), gtol(n), G(N) 81 cntrol(18) = sqrt(ddot(n,dxmax,1,dxmax,1)) 86 40 call linmin1(N,X,H,G,dxmax,cntrol(10:19)) 107 subroutine linmin1(n,xvec,hvec,gvec,dxmax,cntrol) argument 112 real(dp), intent(in) :: dxmax(n) local 149 dx = sqrt(ddot(n,dxmax,1,dxmax,1)) 154 dxhmin = abs(dxmax(1)/hvec(1)) 157 dxhmin = min(dxhmin,abs(dxmax(i)/hvec(i)))
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H A D | fire_optim.F | 30 $ dxmax, tp, ftol, strtol, varcel, relaxd) 56 real(dp), intent(in) :: fa(3,na), dxmax, 213 deltamax(indi) = dxmax 299 call fire_step(b,rdiff,rold,(/ (dxmax, i=1,numel) /) )
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H A D | cgvc.F | 8 subroutine cgvc( na, xa, fa, cell, stress, dxmax, argument 70 real(dp), intent(in) :: fa(3,na), dxmax, 343 call conjgr(ndeg,gxa,gfa,dxmax, ftol_tmp ,cgcntr,cgaux ) 355 call conjgr( 3*na, xa, fa, dxmax, ftol, cgcntr, cgaux )
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_congra.F | 23 real*8 dxmax,dxfi,ecg0,ecg1,ecg2,epcgw,epcgsw,epcgs 114 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax) 266 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax) 330 dxmax=zero 339 if(abs(dxstep).gt.dxmax) dxmax=abs(dxstep) 352 if(abs(dxstep).gt.dxmax) dxmax=abs(dxstep) 357 call ga_dgop(mrg_d12,dxmax,1,'max') 377 dxmax=zero 398 if(dxwmax.gt.dxmax) dxmax=dxwmax 411 if(dxsmax.gt.dxmax) dxmax=dxsmax [all …]
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H A D | argos_eminit.F | 12 real*8 dxmax 47 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax)
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H A D | argos_stdesc.F | 22 real*8 da,damsd,dx,dxf,dxmax,factor,dxstep,eqrs 177 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax) 213 if(isdit.lt.msdit.and.dxmax.gt.dxsdmx) then 255 ldone=.not.(dxmax.gt.dxsdmx.and.isdit.lt.msdit) 268 write(lfnout,600) isdit,cqrs,edif,epsd,epsdw,epsdsw,epsds,dxmax
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_congra.F | 23 real*8 dxmax,dxfi,ecg0,ecg1,ecg2,epcgw,epcgsw,epcgs 114 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax) 266 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax) 330 dxmax=zero 339 if(abs(dxstep).gt.dxmax) dxmax=abs(dxstep) 352 if(abs(dxstep).gt.dxmax) dxmax=abs(dxstep) 357 call ga_dgop(mrg_d12,dxmax,1,'max') 377 dxmax=zero 398 if(dxwmax.gt.dxmax) dxmax=dxwmax 411 if(dxsmax.gt.dxmax) dxmax=dxsmax [all …]
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H A D | argos_eminit.F | 12 real*8 dxmax 47 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax)
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H A D | argos_stdesc.F | 22 real*8 da,damsd,dx,dxf,dxmax,factor,dxstep,eqrs 177 + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax) 213 if(isdit.lt.msdit.and.dxmax.gt.dxsdmx) then 255 ldone=.not.(dxmax.gt.dxsdmx.and.isdit.lt.msdit) 268 write(lfnout,600) isdit,cqrs,edif,epsd,epsdw,epsdsw,epsds,dxmax
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/dports/math/saga/saga-8.1.3/saga-gis/src/tools/contrib/contrib_perego/ |
H A D | directional1.cpp | 55 int x, y, r1, dxmax, dymax, ix, ax, ay, bx, by, iy, iv, iw, n; in On_Execute() local 71 dxmax = (int)((r1*sqrt(co2))+(r2*sqrt(si2))); in On_Execute() 85 if( (ax = x - dxmax) < 0 ) { ax = 0; } in On_Execute() 86 if( (bx = x + dxmax) >= Get_NX() ) { bx = Get_NX() - 1; } in On_Execute() 122 if( (ax = x - dxmax) < 0 ) { ax = 0; } in On_Execute() 123 if( (bx = x + dxmax) >= Get_NX() ) { bx = Get_NX() - 1; } in On_Execute()
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/dports/graphics/blender/blender-2.91.0/source/blender/compositor/operations/ |
H A D | COM_RotateOperation.cpp | 85 const float dxmax = input->xmax - this->m_centerX; in determineDependingAreaOfInterest() local 89 const float x2 = this->m_centerX + (this->m_cosine * dxmax + this->m_sine * dymin); in determineDependingAreaOfInterest() 91 const float x4 = this->m_centerX + (this->m_cosine * dxmax + this->m_sine * dymax); in determineDependingAreaOfInterest() 93 const float y2 = this->m_centerY + (-this->m_sine * dxmax + this->m_cosine * dymin); in determineDependingAreaOfInterest() 95 const float y4 = this->m_centerY + (-this->m_sine * dxmax + this->m_cosine * dymax); in determineDependingAreaOfInterest()
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/dports/print/psdim/psdim-1.4/src/ |
H A D | format.c | 18 int xmin[info.cols], xmax[info.cols], dxmax[info.cols]; in format() local 60 dxmax[j] = -1; in format() 73 dxmax[j] = max(dxmax[j], b->x1 - b->x0); in format() 108 dxmaxt2 = max(dxmaxt2, dxmax[j]); in format() 110 dxmaxs2 += max(0, dxmax[j]); in format() 114 j, xmin[j], xmax[j], xmax[j]-xmin[j], dxmax[j]); in format() 199 xoff[j+1] = xoff[j] + sf*max(0, dxmax[j]); in format()
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/dports/games/wolfpack/empire-4.4.1/src/lib/commands/ |
H A D | skyw.c | 62 int x, y, dx, dy, dxmax; in c_skywatch() local 100 dxmax = 2 * vrange - abs(dy); in c_skywatch() 101 for (dx = -dxmax; dx <= dxmax; dx += 2) { in c_skywatch()
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H A D | coas.c | 64 int x, y, dx, dy, dxmax; in c_coastwatch() local 108 dxmax = 2 * vrange - abs(dy); in c_coastwatch() 109 for (dx = -dxmax; dx <= dxmax; dx += 2) { in c_coastwatch()
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/dports/math/mfem/mfem-4.3/miniapps/gslib/ |
H A D | schwarz_ex1.cpp | 281 double dxmax = std::numeric_limits<float>::min(); in main() local 288 if (dx > dxmax) { dxmax = dx; } in main() 296 if (dx > dxmax) { dxmax = dx; } in main() 305 ", Relative residual: " << dxmax << endl; in main() 306 if (dxmax < rel_tol) { break; } in main()
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H A D | schwarz_ex1p.cpp | 383 double dxmax = std::numeric_limits<float>::min(); in main() local 393 if (dx > dxmax) { dxmax = dx; } in main() 397 double dxmaxg = dxmax; in main() 398 MPI_Allreduce(&dxmax, &dxmaxg, 1, MPI_DOUBLE, MPI_MAX, MPI_COMM_WORLD); in main()
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/dports/science/xtb/xtb-6.4.1/src/ |
H A D | anharmlib.f90 | 35 real(wp) xmin,av,dx,dxmax local 52 dxmax=xx(n)-xx(1) 87 if(ityp(k).eq.it2.and.dx/dxmax.lt.0.1)&
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/dports/print/texlive-base/texlive-20150521-source/utils/asymptote/ |
H A D | simpson.cc | 21 double dxmax) // Maximum limit on the width of a subinterval in simpson() argument 61 if(!success || (fabs(diff) <= acc*fabs(area) && da <= dxmax)) { in simpson() 114 double dxmax, // Maximum limit on the width of a subinterval in unsimpson() argument 171 if((fabs(diff) <= fv[4]*acc*da || dx <= dxmin) && da <= dxmax) { in unsimpson()
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/dports/math/asymptote/asymptote-2.67/ |
H A D | simpson.cc | 21 double dxmax) // Maximum limit on the width of a subinterval in simpson() argument 61 if(!success || (fabs(diff) <= acc*fabs(area) && da <= dxmax)) { in simpson() 114 double dxmax, // Maximum limit on the width of a subinterval in unsimpson() argument 171 if((fabs(diff) <= fv[4]*acc*da || dx <= dxmin) && da <= dxmax) { in unsimpson()
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/dports/misc/vxl/vxl-3.3.2/contrib/brl/bseg/brip/ |
H A D | brip_roi.cxx | 37 dxmax = (xmax+tdelta), dymax = (ymax+tdelta); in brip_roi() local 42 if (dxmax >= n_image_cols_) dxmax = n_image_cols_-1; in brip_roi() 47 dbox->add_point(dxmax, dymax); in brip_roi()
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/dports/games/ultimatestunts/ultimatestunts-srcdata-0771/trackedit/ |
H A D | resizeaction.cpp | 19 CResizeAction::CResizeAction(int dxmin, int dxmax, int dzmin, int dzmax) in CResizeAction() argument 22 m_dxmax = dxmax; in CResizeAction()
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/dports/science/InsightToolkit/ITK-5.0.1/Modules/ThirdParty/VNL/src/vxl/v3p/netlib/linalg/ |
H A D | lsqrBase.cxx | 40 this->dxmax = 0.0; in lsqrBase() 273 this->dxmax = zero; in Solve() 490 if ( this->dxmax < dxk) in Solve() 492 this->dxmax = dxk; in Solve() 723 (*this->nout) << this->dxmax; in TerminationPrintOut() 734 (*this->nout) << this->dxmax / (this->xnorm+1.0e-30); in TerminationPrintOut()
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/dports/misc/vxl/vxl-3.3.2/v3p/netlib/linalg/ |
H A D | lsqrBase.cxx | 40 this->dxmax = 0.0; in lsqrBase() 273 this->dxmax = zero; in Solve() 490 if ( this->dxmax < dxk) in Solve() 492 this->dxmax = dxk; in Solve() 723 (*this->nout) << this->dxmax; in TerminationPrintOut() 734 (*this->nout) << this->dxmax / (this->xnorm+1.0e-30); in TerminationPrintOut()
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/dports/science/lammps/lammps-stable_29Sep2021/tools/createatoms/ |
H A D | createAtoms.f | 327 dxmax=abs(ymax-cent(2)) 329 rmax=min(dxmin,dxmax) 334 dxmax=abs(zmax-cent(3)) 336 rmax=min(dxmin,dxmax) 341 dxmax=abs(xmax-cent(1)) 343 rmax=min(dxmin,dxmax) 360 if (dr .le. dxmax) then 363 astart1=acos(dxmax/dr)*180.0/pi 377 if (dr .le. dxmax) then 389 if (dr .le. dxmax) then [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/soscf/ |
H A D | ciah.py | 105 dxmax = abs(dxi).max() 106 if dxmax > iah.max_stepsize: 107 scale = iah.max_stepsize / dxmax 138 dxmax = abs(dxi).max() 148 dxmax, norm_dr, w, seig)
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