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Atomic-orbital Based Ab-initio Computation at UStc
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name_angular.h
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1#ifndef NAME_ANGULAR_H
2#define NAME_ANGULAR_H
3
4namespace ModuleBase
5{
6 const std::string Name_Angular[5][11] =
7 {
8 {"s"},
9 {"pz", "px", "py"},
10 {"dz^2", "dxz", "dyz", "dx^2-y^2", "dxy"},
11 {"fz^3", "fxz^2", "fyz^2", "fzx^2-zy^2", "fxyz", "fx^3-3*xy^2", "f3yx^2-y^3"},
12 {"g1", "g2", "g3", "g4", "g5", "g6", "g7", "g8", "g9"}
13 }; // name of atomic orbital jiyy add 2022-05-10
14}
15
16#endif
Definition array_pool.h:6
const std::string Name_Angular[5][11]
Definition name_angular.h:6