Class Numerical_Nonlocal¶
Defined in File ORB_nonlocal.h
Class Documentation¶
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class Numerical_Nonlocal¶
CLASS
Note : contain nonlocal ps(:pseudopotential) information about atoms
Feature : set and store information about ps infomation related to atoms
AUTHOR : liaochen
DATE : 2008-03-04
Public Functions
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Numerical_Nonlocal()¶
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~Numerical_Nonlocal()¶
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inline const int &getLmax() const¶
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inline const int &getType() const¶
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inline const string &getLabel() const¶
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inline const string &getType_ps() const¶
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void set_type_info(const int &type_in, const string &label_in, const string &type_ps_in, const int &lmax_in, const int &nproj_in, const Numerical_Nonlocal_Lm *ps_orbital_in)¶
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inline const double &get_rcut_max(void) const¶
Public Members
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Numerical_Nonlocal_Lm *Proj¶
length: nproj(only store radial function )
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Numerical_Nonlocal()¶