|
| MP2R12EnergyUtil_Diag (const RefSCDimension &oodim, const RefSCDimension &xydim, const RefSCDimension &f12dim, const unsigned int nocc_act) |
|
void | check_dims (const RefSCMatrix &A) const |
| Checks if matrix A has proper dimensions. Throw, if not.
|
|
void | check_dims (const RefSymmSCMatrix &A) const |
| Checks if matrix A has proper dimensions. Throw, if not.
|
|
virtual void | print (const char *label, const RefSCMatrix &A, std::ostream &os=ExEnv::out0()) const =0 |
| Prints A.
|
|
virtual void | print (const char *label, const RefSymmSCMatrix &A, std::ostream &os=ExEnv::out0()) const =0 |
| Prints A.
|
|
virtual void | print (const char *label, const RefDiagSCMatrix &A, std::ostream &os=ExEnv::out0()) const =0 |
| Prints A.
|
|
virtual void | get (unsigned int ij, const RefSCMatrix &A, const RefSCVector &Aij) const =0 |
| gets ij block of A
|
|
virtual void | get (unsigned int ij, const RefSCMatrix &A, const RefSCMatrix &Aij) const =0 |
| gets ij block of A
|
|
virtual void | get (unsigned int ij, const RefSymmSCMatrix &A, const RefSymmSCMatrix &Aij) const =0 |
| gets ij block of A
|
|
virtual void | get (unsigned int ij, const RefDiagSCMatrix &A, const RefDiagSCMatrix &Aij) const =0 |
| gets ij block of A
|
|
virtual void | put (unsigned int ij, const RefSCMatrix &A, const RefSCVector &Aij) const =0 |
| puts ij block into A
|
|
virtual void | put (unsigned int ij, const RefSCMatrix &A, const RefSCMatrix &Aij) const =0 |
| puts ij block into A
|
|
virtual void | put (unsigned int ij, const RefSymmSCMatrix &A, const RefSymmSCMatrix &Aij) const =0 |
| puts ij block into A
|
|
virtual void | put (unsigned int ij, const RefDiagSCMatrix &A, const RefDiagSCMatrix &Aij) const =0 |
| puts ij block into A
|
|
virtual void | invert (RefSymmSCMatrix &A) const =0 |
| Inverts A in-place.
|
|
virtual RefDiagSCMatrix | eigenvalues (const RefSymmSCMatrix &A) const =0 |
| Computes eigenvalues of A.
|
|
virtual void | diagonalize (const RefSymmSCMatrix &A, RefDiagSCMatrix &evals, RefSCMatrix &evecs) const =0 |
| Computes eigenvalues and eigenvectors of A. evals and evecs don't have to be allocated.
|
|
virtual void | transform (const RefSymmSCMatrix &B, const RefDiagSCMatrix &A, const RefSCMatrix &U) const =0 |
| B = U * A * U.t()
|
|
virtual void | solve_linear_system (const RefSymmSCMatrix &A, RefSCMatrix &X, const RefSCMatrix &B) const =0 |
| Solves A*X = B.
|
|
virtual void | solve_linear_system (unsigned int ij, const RefSymmSCMatrix &A, RefSCMatrix &X, const RefSCMatrix &B) const =0 |
|
virtual void | times (const RefSymmSCMatrix &A, const RefSCMatrix &x, RefSCMatrix &y) const =0 |
| computes y = A x
|
|
virtual void | times (unsigned int ij, const RefSymmSCMatrix &A, const RefSCMatrix &x, RefSCMatrix &y) const =0 |
| computes y = A x
|
|
virtual RefSCVector | dot_product (const RefSCMatrix &A, const RefSCMatrix &B) const =0 |
| Computes "dot" product of A and B: tr[i] = sum_j A[j][i] B[j][i].
|
|
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...
|
|