MPQC  3.0.0-alpha
sc::OneBodyFockMatrixBuilder< bra_eq_ket > Class Template Reference

Builds the one-body part of the Fock matrix in AO basis. More...

#include <chemistry/qc/lcao/fockbuilder.h>

Inheritance diagram for sc::OneBodyFockMatrixBuilder< bra_eq_ket >:
sc::RefCount

Public Types

enum  OneBodyHamiltonianType { NonRelativistic, Pauli, DK1, DK2 }
 
typedef detail::FockMatrixType< bra_eq_ket >::value ResultType
 
typedef detail::FockMatrixType< bra_eq_ket >::Factory ResultFactory
 

Public Member Functions

 OneBodyFockMatrixBuilder (OneBodyHamiltonianType type, const Ref< GaussianBasisSet > &brabasis, const Ref< GaussianBasisSet > &ketbasis, const Ref< GaussianBasisSet > &pbasis, const Ref< Integral > &integral, double accuracy=1e-12)
 
const ResultType & result () const
 
- 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. More...
 
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
 
void unmanage ()
 Turn off the reference counting mechanism for this object. More...
 

Additional Inherited Members

- Protected Member Functions inherited from sc::RefCount
 RefCount (const RefCount &)
 
RefCountoperator= (const RefCount &)
 

Detailed Description

template<bool bra_eq_ket>
class sc::OneBodyFockMatrixBuilder< bra_eq_ket >

Builds the one-body part of the Fock matrix in AO basis.


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

Generated at Sun Jan 26 2020 23:24:08 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.