Parsed representation of a string key that represents fitting of a product of space1 and space2 into fspace.
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#include <chemistry/qc/lcao/df_runtime.h>
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| ParsedDensityFittingKey (const std::string &key) |
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const std::string & | key () const |
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const std::string & | space1 () const |
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const std::string & | space2 () const |
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const std::string & | fspace () const |
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const std::string & | kernel () const |
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const std::string & | kernel_oper () const |
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const std::string & | kernel_param () const |
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bool | ri () const |
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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
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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:
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s1 = space1 label
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s2 = space2 label
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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.
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K = fitting kernel label
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f = fspace label
The documentation for this class was generated from the following file: