MPQC
3.0.0-alpha
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Builds the one-body part of the Fock matrix in AO basis. More...
#include <chemistry/qc/lcao/fockbuilder.h>
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 &) | |
RefCount & | operator= (const RefCount &) |
Builds the one-body part of the Fock matrix in AO basis.