spin.h File Reference
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Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 

Functions

constexpr unsigned int mpqc::nspincases1 (bool spin_polarized)
 Returns the number of unique spin cases (1 or 2) More...
 
constexpr unsigned int mpqc::nspincases2 (bool spin_polarized)
 Returns the number of unique combinations of 2 spin cases (1 or 3) More...
 
constexpr unsigned int mpqc::npurespincases2 ()
 Returns the number of pure 2 spin cases. More...
 
constexpr SpinCase1 mpqc::case1 (SpinCase2 S)
 returns the first spin case of the 2-spin S More...
 
constexpr SpinCase1 mpqc::case2 (SpinCase2 S)
 returns the second spin case of the 2-spin S More...
 
constexpr SpinCase2 mpqc::case12 (SpinCase1 S1, SpinCase1 S2)
 combines 2 spins to give 1 2-spin More...
 
constexpr SpinCase1 mpqc::other (SpinCase1 S)
 given 1-spin return the other 1-spin More...
 
constexpr const char * mpqc::to_string (SpinCase1 S)
 
constexpr const char * mpqc::to_string (SpinCase2 S)
 
constexpr const char * mpqc::to_string (PureSpinCase2 S)
 
SpinCase1 mpqc::to_spincase1 (std::string key)
 
SpinCase2 mpqc::to_spincase2 (std::string key)
 
PureSpinCase2 mpqc::to_purespincase2 (std::string key)
 
std::string mpqc::prepend_spincase (SpinCase1 S, const std::string &R, bool lowercase=false)
 Prepend string representation of S to R and return. More...
 
std::string mpqc::prepend_spincase (SpinCase2 S, const std::string &R, bool lowercase=false)
 Prepend string representation of S to R and return. More...
 
std::string mpqc::prepend_spincase (PureSpinCase2 S, const std::string &R, bool lowercase=false)
 Prepend string representation of S to R and return. More...