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Searched refs:x_atom (Results 1 – 14 of 14) sorted by relevance

/dports/science/lammps/lammps-stable_29Sep2021/lib/atc/
H A DKernelFunction.h41 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;
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H A DKernelFunction.cpp370 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()
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/atc/
H A DKernelFunction.h41 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;
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H A DKernelFunction.cpp370 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()
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/dports/science/lammps/lammps-stable_29Sep2021/lib/kokkos/core/unit_test/
H A DTestViewMapping_b.hpp68 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()
/dports/devel/kokkos/kokkos-3.4.01/core/unit_test/
H A DTestViewMapping_b.hpp68 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()
/dports/science/sparta/sparta-20Oct2021/lib/kokkos/core/unit_test/
H A DTestViewMapping_b.hpp68 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()
/dports/science/octopus/octopus-10.5/src/grid/
H A Ddouble_grid_apply_inc.F9024 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)
/dports/science/octopus/octopus-10.5/src/hamiltonian/
H A Dspecies_pot.F90906 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)
/dports/x11/bmpanel2/bmpanel2-2.1pre1/
H A Dxutil.h10 enum x_atom { enum
/dports/devel/efl/efl-1.25.1/src/lib/elementary/
H A Defl_ui_selection_manager_private.h231 Ecore_X_Atom x_atom; member
/dports/editors/emacs-devel/emacs-4d1968b/src/
H A Dxselect.c2425 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;
/dports/editors/emacs/emacs-27.2/src/
H A Dxselect.c2413 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;
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/pelib/src/
H A Dpelib_induced_moments.F90936 real(rp) :: x_atom, y_atom, z_atom local
959 x_atom = Rm(1,atomj)
967 nrmj_x = (xj_ts - x_atom)/Radsp(atomj)