/dports/science/lammps/lammps-stable_29Sep2021/lib/atc/ |
H A D | KernelFunction.h | 41 virtual double value(DENS_VEC& x_atom) const =0 ; 82 virtual double value(DENS_VEC& x_atom) const; 84 virtual void derivative(const DENS_VEC& x_atom, DENS_VEC& deriv) const; 104 virtual double value(DENS_VEC& x_atom) const; 134 virtual double value(DENS_VEC& x_atom) const; 152 virtual double value(DENS_VEC& x_atom) const; 170 virtual double value(DENS_VEC& x_atom) const; 190 virtual double value(DENS_VEC& x_atom) const; 209 virtual double value(DENS_VEC& x_atom) const; 228 virtual double value(DENS_VEC& x_atom) const; [all …]
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H A D | KernelFunction.cpp | 370 if ((cellBounds_(0) <= x_atom(0)) && (x_atom(0) < cellBounds_(1)) in value() 371 && (cellBounds_(2) <= x_atom(1)) && (x_atom(1) < cellBounds_(3)) in value() 372 && (cellBounds_(4) <= x_atom(2)) && (x_atom(2) < cellBounds_(5))) { in value() 514 double r=x_atom.norm(); in value() 544 double r=x_atom.norm(); in value() 577 double r=sqrt(pow(x_atom(0),2)+pow(x_atom(1),2)); in value() 610 double r=sqrt(pow(x_atom(0),2)+pow(x_atom(1),2)); in value() 642 double r=abs(x_atom(0)); in value() 674 double r=abs(x_atom(2)); in value() 686 double r=abs(x_atom(2)); in derivative() [all …]
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/atc/ |
H A D | KernelFunction.h | 41 virtual double value(DENS_VEC& x_atom) const =0 ; 82 virtual double value(DENS_VEC& x_atom) const; 84 virtual void derivative(const DENS_VEC& x_atom, DENS_VEC& deriv) const; 104 virtual double value(DENS_VEC& x_atom) const; 134 virtual double value(DENS_VEC& x_atom) const; 152 virtual double value(DENS_VEC& x_atom) const; 170 virtual double value(DENS_VEC& x_atom) const; 190 virtual double value(DENS_VEC& x_atom) const; 209 virtual double value(DENS_VEC& x_atom) const; 228 virtual double value(DENS_VEC& x_atom) const; [all …]
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H A D | KernelFunction.cpp | 370 if ((cellBounds_(0) <= x_atom(0)) && (x_atom(0) < cellBounds_(1)) in value() 371 && (cellBounds_(2) <= x_atom(1)) && (x_atom(1) < cellBounds_(3)) in value() 372 && (cellBounds_(4) <= x_atom(2)) && (x_atom(2) < cellBounds_(5))) { in value() 514 double r=x_atom.norm(); in value() 544 double r=x_atom.norm(); in value() 577 double r=sqrt(pow(x_atom(0),2)+pow(x_atom(1),2)); in value() 610 double r=sqrt(pow(x_atom(0),2)+pow(x_atom(1),2)); in value() 642 double r=abs(x_atom(0)); in value() 674 double r=abs(x_atom(2)); in value() 686 double r=abs(x_atom(2)); in derivative() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/lib/kokkos/core/unit_test/ |
H A D | TestViewMapping_b.hpp | 68 T_atom x_atom; member 80 void operator()(const TagUpdate &, const int i) const { x_atom(i % 2) += 1; } in operator ()() 91 TestViewMappingAtomic() : x("x", N), x_atom(x) {} in TestViewMappingAtomic()
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/dports/devel/kokkos/kokkos-3.4.01/core/unit_test/ |
H A D | TestViewMapping_b.hpp | 68 T_atom x_atom; member 80 void operator()(const TagUpdate &, const int i) const { x_atom(i % 2) += 1; } in operator ()() 91 TestViewMappingAtomic() : x("x", N), x_atom(x) {} in TestViewMappingAtomic()
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/dports/science/sparta/sparta-20Oct2021/lib/kokkos/core/unit_test/ |
H A D | TestViewMapping_b.hpp | 68 T_atom x_atom; member 80 void operator()(const TagUpdate &, const int i) const { x_atom(i % 2) += 1; } in operator ()() 91 TestViewMappingAtomic() : x("x", N), x_atom(x) {} in TestViewMappingAtomic()
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/dports/science/octopus/octopus-10.5/src/grid/ |
H A D | double_grid_apply_inc.F90 | 24 FLOAT, intent(in) :: x_atom(1:MAX_DIM) 89 …) = mesh%x(sm%map(is), 1:3) + mesh%spacing(1:3)/this%spacing_divisor * (/ii, jj, kk/) - x_atom(1:3)
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/dports/science/octopus/octopus-10.5/src/hamiltonian/ |
H A D | species_pot.F90 | 906 subroutine species_get_local(species, mesh, namespace, x_atom, vl) argument 910 FLOAT, intent(in) :: x_atom(:) 934 call periodic_copy_init(pp, mesh%sb, x_atom, range = species_zval(species) / threshold) 948 …call periodic_copy_init(pp, mesh%sb, x_atom, range = CNST(10.0) * maxval(mesh%sb%lsize(1:mesh%sb%d… 989 xx(1:mesh%sb%dim) = mesh%x(ip, 1:mesh%sb%dim) - x_atom(1:mesh%sb%dim) 1022 r2 = sum((mesh%x(ip, 1:mesh%sb%dim) - x_atom(1:mesh%sb%dim))**2)
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/dports/x11/bmpanel2/bmpanel2-2.1pre1/ |
H A D | xutil.h | 10 enum x_atom { enum
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/dports/devel/efl/efl-1.25.1/src/lib/elementary/ |
H A D | efl_ui_selection_manager_private.h | 231 Ecore_X_Atom x_atom; member
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/dports/editors/emacs-devel/emacs-4d1968b/src/ |
H A D | xselect.c | 2425 Atom x_atom; variable 2432 x_atom = symbol_to_x_atom (dpyinfo, atom); 2436 x_atom = XInternAtom (FRAME_X_DISPLAY (f), SSDATA (atom), False); 2443 if (dpyinfo->x_dnd_atoms[i] == x_atom) 2451 dpyinfo->x_dnd_atoms[dpyinfo->x_dnd_atoms_length++] = x_atom;
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/dports/editors/emacs/emacs-27.2/src/ |
H A D | xselect.c | 2413 Atom x_atom; variable 2420 x_atom = symbol_to_x_atom (dpyinfo, atom); 2424 x_atom = XInternAtom (FRAME_X_DISPLAY (f), SSDATA (atom), False); 2431 if (dpyinfo->x_dnd_atoms[i] == x_atom) 2439 dpyinfo->x_dnd_atoms[dpyinfo->x_dnd_atoms_length++] = x_atom;
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/pelib/src/ |
H A D | pelib_induced_moments.F90 | 936 real(rp) :: x_atom, y_atom, z_atom local 959 x_atom = Rm(1,atomj) 967 nrmj_x = (xj_ts - x_atom)/Radsp(atomj)
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