MSpin-JCoupling
2.1
magnes
HCCHEquation
magnes::HCCHEquation Member List
This is the complete list of members for
magnes::HCCHEquation
, including all inherited members.
CoupledNuclei
() const
magnes::HCCHEquation
protected
virtual
CoupledPairs
(Molecule *molecule, std::vector< magnes::CouplingConstant > &pairs)
magnes::JEquation
Description
() const
magnes::JEquation
virtual
GetCurrentParameterSet
() const
magnes::JEquation
GetCurrentParameterSet
()
magnes::JEquation
GetCurrentParameterSetIndex
() const
magnes::JEquation
GetJ
(const Frame &frame, size_t i, size_t j)=0
magnes::JEquation
pure virtual
GetParameterSet
(size_t i) const
magnes::JEquation
GetParameterSet
(size_t i)
magnes::JEquation
GetParameterSets
() const
magnes::JEquation
GetParameterSets
()
magnes::JEquation
Group
() const
magnes::JEquation
HCCHEquation
() (defined in
magnes::HCCHEquation
)
magnes::HCCHEquation
HugginsElectronegativity
(const magnes::Atom &atom)
magnes::HCCHEquation
protected
InitParameters
()=0
magnes::JEquation
pure virtual
JEquation
()
magnes::JEquation
LoadParameters
(std::istream &s)
magnes::JEquation
m_s1
magnes::JEquation
protected
m_s2
magnes::JEquation
protected
Name
() const =0
magnes::JEquation
pure virtual
NBonds
() const
magnes::HCCHEquation
protected
virtual
SaveParameters
(std::ostream &s) const
magnes::JEquation
SelectFirstAtom
(const magnes::Molecule *molecule, size_t i)
magnes::HCCHEquation
protected
virtual
SelectSecondAtom
(const magnes::Molecule *molecule, size_t i)
magnes::HCCHEquation
protected
virtual
SetCurrentSet
(size_t n)
magnes::JEquation
SetGroup
(const std::string &group)
magnes::JEquation
SetParameters
(std::vector< Parameter > &newparams, int i)
magnes::JEquation
~HCCHEquation
() (defined in
magnes::HCCHEquation
)
magnes::HCCHEquation
~JEquation
()
magnes::JEquation
virtual
Generated by
1.8.12