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Atomic-orbital Based Ab-initio Computation at UStc
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deepks_param.h
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1#ifndef LCAO_DEEPKS_PARAM
2#define LCAO_DEEPKS_PARAM
3
4#include <vector>
5namespace ModuleBase
6{
7struct IntArray;
8}
9
11{
12 int lmaxd = 0;
13 int nmaxd = 0;
14 int inlmax = 0;
15 int n_descriptor = 0;
16 int des_per_atom = 0;
17 std::vector<int> nchi_d_l;
18 std::vector<int> inl2l;
20};
21
22#endif
Integer array.
Definition intarray.h:17
Definition clebsch_gordan_coeff.cpp:8
Definition deepks_param.h:11
std::vector< int > nchi_d_l
Definition deepks_param.h:17
int lmaxd
Definition deepks_param.h:12
ModuleBase::IntArray * inl_index
Definition deepks_param.h:19
int nmaxd
Definition deepks_param.h:13
int n_descriptor
Definition deepks_param.h:15
std::vector< int > inl2l
Definition deepks_param.h:18
int inlmax
Definition deepks_param.h:14
int des_per_atom
Definition deepks_param.h:16