MPQC 3.0.0-alpha
Loading...
Searching...
No Matches
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.
 
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.
 

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 Wed Sep 25 2024 02:45:34 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.12.0.