1#ifndef NUMERICAL_NONLOCAL_H
2#define NUMERICAL_NONLOCAL_H
39 const std::string& label_in,
40 const std::string& type_ps_in,
Definition ORB_nonlocal_lm.h:19
Definition ORB_nonlocal.h:22
int type
<element label
Definition ORB_nonlocal.h:54
const int & getType() const
Definition ORB_nonlocal.h:30
const double & get_rcut_max() const
Definition ORB_nonlocal.h:47
int lmax
max value of L angular momentum
Definition ORB_nonlocal.h:56
const std::string & getType_ps() const
Definition ORB_nonlocal.h:34
std::string label
Definition ORB_nonlocal.h:52
const std::string & getLabel() const
Definition ORB_nonlocal.h:32
double rcut_max
Definition ORB_nonlocal.h:58
int nproj
Definition ORB_nonlocal.h:62
std::string type_ps
local or nonlocal
Definition ORB_nonlocal.h:60
void set_type_info(const int &type_in, const std::string &label_in, const std::string &type_ps_in, const int &lmax_in, const int &nproj_in, const Numerical_Nonlocal_Lm *ps_orbital_in)
Definition ORB_nonlocal.cpp:22
Numerical_Nonlocal_Lm * Proj
length: nproj(only store radial function )
Definition ORB_nonlocal.h:45
~Numerical_Nonlocal()
Definition ORB_nonlocal.cpp:16
const int & getLmax() const
Definition ORB_nonlocal.h:28
Numerical_Nonlocal()
Definition ORB_nonlocal.cpp:4
const int & get_nproj() const
Definition ORB_nonlocal.h:48