#include "mpqc/mpqc_config.h"
#include "mpqc/math/linalg/fwd.h"
#include "mpqc/util/external/c++/fwd.h"

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

Typedefs
using mpqc::orbital_index_type = short

Enumerations
enum mpqc::NSpinCases { mpqc::NSpinCases1 = 2, mpqc::NSpinCases2 = 3 }

enum mpqc::NPureSpinCases { mpqc::NPureSpinCases2 = 2 }

enum mpqc::SpinCase1 { mpqc::SpinCase1::Any = -1, mpqc::SpinCase1::Alpha = 0, mpqc::SpinCase1::Beta = 1, mpqc::SpinCase1::Invalid = 2 }

enum { mpqc::SpinCase1Any = static_cast<int>(SpinCase1::Any), mpqc::SpinCase1Alpha = static_cast<int>(SpinCase1::Alpha), mpqc::SpinCase1Beta = static_cast<int>(SpinCase1::Beta), mpqc::SpinCase1Invalid = static_cast<int>(SpinCase1::Invalid) }

enum mpqc::SpinCase2 { mpqc::SpinCase2::Any = -1, mpqc::SpinCase2::AlphaBeta = 0, mpqc::SpinCase2::AlphaAlpha = 1, mpqc::SpinCase2::BetaBeta = 2, mpqc::SpinCase2::Invalid = 3 }

enum mpqc::PureSpinCase2 { mpqc::PureSpinCase2::Any = -1, mpqc::PureSpinCase2::Singlet = 0, mpqc::PureSpinCase2::Triplet = 1, mpqc::PureSpinCase2::Invalid = 2 }

Functions
constexpr SpinCase1 mpqc::flip (SpinCase1 sc)

Namespaces

Typedefs