32 for (
int it = 0; it <
ntype; it++)
35 for (
int ia = 0; ia < atom->
na; ia++)
37 for (
int ik = 0; ik < 3; ++ik)
39 atom->
tau[ia][ik] = 3.0 * ia + ik;
~Atom_pseudo()
Definition atom_pseudo.cpp:9
Atom_pseudo()
Definition atom_pseudo.cpp:5
int na
Definition atom_spec.h:27
~Atom()
Definition atom_spec.cpp:10
Atom()
Definition atom_spec.cpp:6
std::vector< ModuleBase::Vector3< double > > tau
Definition atom_spec.h:35
std::vector< ModuleBase::Vector3< int > > mbl
Definition atom_spec.h:14
Magnetism()
Definition sltk_atom_arrange_test.cpp:27
~Magnetism()
Definition sltk_atom_arrange_test.cpp:33
double e13
Definition matrix3.h:26
double e31
Definition matrix3.h:26
double e11
element e_ij: i_row, j_column
Definition matrix3.h:26
double e33
Definition matrix3.h:26
double e32
Definition matrix3.h:26
double e21
Definition matrix3.h:26
double e12
Definition matrix3.h:26
double e23
Definition matrix3.h:26
double e22
Definition matrix3.h:26
SepPot()
Definition symmetry_test_analysis.cpp:38
~SepPot()
Definition symmetry_test_analysis.cpp:39
~Sep_Cell() noexcept
Definition symmetry_test_analysis.cpp:41
Sep_Cell() noexcept
Definition symmetry_test_analysis.cpp:40
~UnitCell()
Definition symmetry_test_analysis.cpp:35
Atom * atoms
Definition unitcell.h:45
ModuleBase::Matrix3 & latvec
Definition unitcell.h:63
UnitCell()
Definition symmetry_test_analysis.cpp:34
int & ntype
Definition unitcell.h:73
int & nat
Definition unitcell.h:74
bool set_atom_flag
Definition unitcell.h:48
std::vector< std::string > atom_label
Definition unitcell.h:230
std::string & Coordinate
Definition unitcell.h:54
std::string & latName
Definition unitcell.h:55
double & lat0_angstrom
Definition unitcell.h:57
~pseudo()
Definition symmetry_test_analysis.cpp:27
pseudo()
Definition symmetry_test_analysis.cpp:24