MPQC  3.0.0-alpha
sc::ParsedDensityFittingKey Class Reference

Parsed representation of a string key that represents fitting of a product of space1 and space2 into fspace. More...

#include <chemistry/qc/lcao/df_runtime.h>

Public Member Functions

 ParsedDensityFittingKey (const std::string &key)
 
const std::string & key () const
 
const std::string & space1 () const
 
const std::string & space2 () const
 
const std::string & fspace () const
 
const std::string & kernel () const
 
const std::string & kernel_oper () const
 
const std::string & kernel_param () const
 
bool ri () const
 

Static Public Member Functions

static std::string key (const std::string &space1, const std::string &space2, const std::string &fspace, const std::string &kernel, bool ri=false)
 computes key from its components
 

Detailed Description

Parsed representation of a string key that represents fitting of a product of space1 and space2 into fspace.

kernel must be parsable by ParsedTwoBodyOperSetKey.

The key format is (s1 s2|L(K)|f), where:

  • s1 = space1 label
  • s2 = space2 label
  • L = DF or RI, the latter returns coefficients scaled by inverse square root of the fitting kernel; if the fitting kernel is negative definite, will use the inverse square root of the negative.
  • K = fitting kernel label
  • f = fspace label

The documentation for this class was generated from the following file:

Generated at Sun Jan 26 2020 23:24:08 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.