bcell_start | Grid_Technique | |
bigcell_GT | Grid_BigCell | protected |
bigcell_latvec0 | Grid_BigCell | protected |
bigcell_vec1 | Grid_BigCell | protected |
bigcell_vec2 | Grid_BigCell | protected |
bigcell_vec3 | Grid_BigCell | protected |
bx | Grid_MeshCell | |
bxyz | Grid_MeshCell | |
by | Grid_MeshCell | |
bz | Grid_MeshCell | |
cal_extended_cell(const int &dxe, const int &dye, const int &dze, const int &nbx, const int &nby, const int &nbz) | Grid_MeshK | protected |
cal_grid_integration_index() | Grid_Technique | private |
cal_max_box_index() | Grid_Technique | private |
cal_Rindex(const int &u1, const int &u2, const int &u3) const | Grid_MeshK | |
cal_RindexAtom(const int &u1, const int &u2, const int &u3, const int &iat2) const | Grid_Technique | |
cal_trace_lo(const UnitCell &ucell) | Grid_Technique | private |
check_bigcell(int *ind_bigcell, char *bigcell_on_processor) | Grid_Technique | private |
d2psi_u | Grid_Technique | |
deal_with_atom_spillage(const double *pos) | Grid_MeshBall | private |
dpsi_u | Grid_Technique | |
dr_uniform | Grid_Technique | |
dxe | Grid_BigCell | protected |
dye | Grid_BigCell | protected |
dze | Grid_BigCell | protected |
find_offset(const int id1, const int id2, const int iat1, const int iat2) const | Grid_Technique | |
get_ijr_info() const | Grid_Technique | inline |
get_init_malloced() const | Grid_Technique | inline |
get_startind(const int &ny, const int &nplane) | Grid_Technique | private |
get_ucell_coords(const int &Rindex) const | Grid_MeshK | |
Grid_BigCell() | Grid_BigCell | |
grid_expansion_index(bool f2normal, int *target) const | Grid_BigCell | protected |
Grid_MeshBall() | Grid_MeshBall | |
Grid_MeshCell() | Grid_MeshCell | |
Grid_MeshK() | Grid_MeshK | |
Grid_Technique() | Grid_Technique | |
how_many_atoms | Grid_Technique | |
ijr_info | Grid_Technique | private |
in_this_processor | Grid_Technique | |
index_atom | Grid_BigCell | protected |
index_ball | Grid_MeshBall | protected |
init_atoms_on_grid(const int &ny, const int &nplane, const UnitCell &ucell) | Grid_Technique | private |
init_atoms_on_grid2(const int *index2normal, const UnitCell &ucell) | Grid_Technique | private |
init_big_latvec(const UnitCell &ucell) | Grid_BigCell | protected |
init_grid_expansion(const UnitCell &ucell, double *rcut) | Grid_BigCell | protected |
init_ijr_and_nnrg(const UnitCell &ucell, const Grid_Driver &gd) | Grid_Technique | private |
init_latvec(const UnitCell &ucell) | Grid_MeshCell | protected |
init_malloced | Grid_Technique | |
init_meshball(void) | Grid_MeshBall | protected |
init_meshcell_pos() | Grid_MeshCell | protected |
init_tau_in_bigcell(const UnitCell &ucell) | Grid_BigCell | protected |
lgd | Grid_Technique | |
lnat | Grid_Technique | |
max_atom | Grid_Technique | |
maxu1 | Grid_MeshK | private |
maxu2 | Grid_MeshK | private |
maxu3 | Grid_MeshK | private |
meshball_ncells | Grid_MeshBall | protected |
meshball_positions | Grid_MeshBall | |
meshball_radius | Grid_MeshBall | private |
meshcell_GT | Grid_MeshCell | private |
meshcell_latvec0 | Grid_MeshCell | private |
meshcell_pos | Grid_MeshCell | |
meshcell_vec1 | Grid_MeshCell | protected |
meshcell_vec2 | Grid_MeshCell | protected |
meshcell_vec3 | Grid_MeshCell | protected |
minu1 | Grid_MeshK | private |
minu2 | Grid_MeshK | private |
minu3 | Grid_MeshK | private |
nat | Grid_BigCell | |
nbx | Grid_MeshCell | |
nbxx | Grid_MeshCell | |
nbxyz | Grid_MeshCell | |
nby | Grid_MeshCell | |
nbz | Grid_MeshCell | |
nbzp | Grid_MeshCell | |
nbzp_start | Grid_MeshCell | |
ncx | Grid_MeshCell | |
ncxyz | Grid_MeshCell | |
ncy | Grid_MeshCell | |
ncz | Grid_MeshCell | |
nnrg | Grid_Technique | |
nr_max | Grid_Technique | |
ntype | Grid_Technique | |
nu1 | Grid_MeshK | private |
nu2 | Grid_MeshK | private |
nu3 | Grid_MeshK | private |
nutot | Grid_MeshK | private |
nwmax | Grid_Technique | |
nxe | Grid_BigCell | protected |
nxyze | Grid_BigCell | protected |
nye | Grid_BigCell | protected |
nze | Grid_BigCell | protected |
operator=(Grid_Technique &&rhs)=default | Grid_Technique | |
Grid_MeshBall::operator=(Grid_MeshBall &&rhs)=default | Grid_MeshBall | |
Grid_BigCell::operator=(Grid_BigCell &&rhs)=default | Grid_BigCell | |
Grid_MeshCell::operator=(Grid_MeshCell &&rhs)=default | Grid_MeshCell | protected |
Grid_MeshK::operator=(Grid_MeshK &&rhs)=default | Grid_MeshK | |
orb | Grid_Technique | |
orbital_rmax | Grid_BigCell | protected |
psi_u | Grid_Technique | |
rcuts | Grid_Technique | |
set_grid_dim(const int &ncx_in, const int &ncy_in, const int &ncz_in, const int &bx_in, const int &by_in, const int &bz_in, const int &nbx_in, const int &nby_in, const int &nbz_in, const int &nbxx_in, const int &nbzp_start_in, const int &nbzp_in) | Grid_MeshCell | protected |
set_pbc_grid(const int &ncx_in, const int &ncy_in, const int &ncz_in, const int &bx_in, const int &by_in, const int &bz_in, const int &nbx_in, const int &nby_in, const int &nbz_in, const int &nbxx_in, const int &nbzp_start_in, const int &nbzp_in, const int &ny, const int &nplane, const int &startz_current, const UnitCell &ucell, const Grid_Driver &gd, const double &dr_uniform, const std::vector< double > &rcuts, const std::vector< std::vector< double > > &psi_u, const std::vector< std::vector< double > > &dpsi_u, const std::vector< std::vector< double > > &d2psi_u, const int &num_stream) | Grid_Technique | |
start_ind | Grid_Technique | |
tau_in_bigcell | Grid_BigCell | |
total_atoms_on_grid | Grid_Technique | |
trace_iat | Grid_Technique | |
trace_lo | Grid_Technique | |
ucell | Grid_Technique | |
ucell_index2x | Grid_MeshK | private |
ucell_index2y | Grid_MeshK | private |
ucell_index2z | Grid_MeshK | private |
which_atom | Grid_Technique | |
which_bigcell | Grid_Technique | |
which_unitcell | Grid_Technique | |
~Grid_BigCell() | Grid_BigCell | |
~Grid_MeshBall() | Grid_MeshBall | |
~Grid_MeshCell() | Grid_MeshCell | |
~Grid_MeshK() | Grid_MeshK | |
~Grid_Technique() | Grid_Technique | |