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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... | |
