sc::SCFIterationData Class Reference

Inheritance diagram for sc::SCFIterationData:

Public Member Functions
boost::property_tree::ptree &	write_xml (boost::property_tree::ptree &parent, const XMLWriter &writer)
Public Member Functions inherited from sc::XMLWritable
Public Member Functions inherited from sc::RefCount
size_t	identifier () const
	Return the unique identifier for this object that can be compared for different objects of different types.
int	lock_ptr () const
	Lock this object.
int	unlock_ptr () const
	Unlock this object.
void	use_locks (bool inVal)
	start and stop using locks on this object
refcount_t	nreference () const
	Return the reference count.
refcount_t	reference ()
	Increment the reference count and return the new count.
refcount_t	dereference ()
	Decrement the reference count and return the new count.
int	managed () const
	Return 1 if the object is managed. Otherwise return 0.

Public Attributes
SCFIterationLogger *	parent
int	number
RefDiagSCMatrix	evals = 0
RefDiagSCMatrix	alpha_evals = 0
RefDiagSCMatrix	beta_evals = 0
RefSymmSCMatrix	density = 0
RefSymmSCMatrix	alpha_density = 0
RefSymmSCMatrix	beta_density = 0
RefSCMatrix	coeffs = 0
RefSCMatrix	alpha_coeffs = 0
RefSCMatrix	beta_coeffs = 0

Additional Inherited Members
Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)
RefCount &	operator= (const RefCount &)

Member Function Documentation

write_xml()

boost::property_tree::ptree & sc::SCFIterationData::write_xml ( boost::property_tree::ptree & parent, const XMLWriter & writer )

virtual

Implements sc::XMLWritable.

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The documentation for this class was generated from the following file:

• src/lib/chemistry/qc/scf/iter_logger.h