- d -
- Data()
: distr_org_mm_struct::Data
, distr_org_struct::Data
- decrease()
: mat::Interval< Treal >
- determine_iteration_for_eigenvectors()
: PurificationGeneral< MatrixType >
- diff()
: mat::MatrixSymmetric< Treal, Tmatrix >
- diffIfSmall()
: mat::MatrixSymmetric< Treal, Tmatrix >
- DiffMatrix()
: mat::DiffMatrix< Tmatrix, Treal >
- DIISManager()
: DIISManager
- DIISManagerRestricted()
: DIISManagerRestricted
- DIISManagerUnrestricted()
: DIISManagerUnrestricted
- discard_homo_eigenvector()
: PurificationGeneral< MatrixType >
- discard_lumo_eigenvector()
: PurificationGeneral< MatrixType >
- dist()
: Vector3D
- dist2()
: Vector3D
- distribute()
: XCDistributorGga< Matrix >
, XCDistributorGgaBlas
, XCDistributorGgaU< Matrix >
, XCDistributorLda< Matrix >
, XCDistributorLdaBlas
- disturb_dens_matrix()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- disturb_dens_matrix_exact()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- disturb_dens_matrix_exact_try()
: SCF_restricted
- disturb_fock_matrix()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- do_2e_integral()
: IntegratorWithMemory
- do_conjugate()
: ComplexMatrix
- do_mat_vec_mul()
: MatVecMul
- do_mulliken_pop_stuff()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- do_restricted_calculations()
: GetDensFromFock
- do_SCF_iterations()
: SCF_general
- do_spin_flip()
: SCF_general
, SCF_restricted
, SCF_unrestricted
- do_unrestricted_calculations()
: GetDensFromFock
- DoScalarProductOfErrorMatrices()
: DIISManager
- dot()
: mat::Vector< Treal, Telement >
, mat::Vector< Treal >
- dryRun()
: per::Perturbation< Treal, Tmatrix, Tvector >