CheMPS2
CheMPS2::Hamiltonian Member List

This is the complete list of members for CheMPS2::Hamiltonian, including all inherited members.

addToVmat(const int index1, const int index2, const int index3, const int index4, const double val)CheMPS2::Hamiltonian
debugcheck() const CheMPS2::Hamiltonian
getEconst() const CheMPS2::Hamiltonian
getL() const CheMPS2::Hamiltonian
getNGroup() const CheMPS2::Hamiltonian
getOrbitalIrrep(const int nOrb) const CheMPS2::Hamiltonian
getTmat(const int index1, const int index2) const CheMPS2::Hamiltonian
getTmat()CheMPS2::Hamiltonian
getVmat(const int index1, const int index2, const int index3, const int index4) const CheMPS2::Hamiltonian
getVmat()CheMPS2::Hamiltonian
Hamiltonian(const int Norbitals, const int nGroup, const int *OrbIrreps)CheMPS2::Hamiltonian
Hamiltonian(const string filename, const int psi4groupnumber)CheMPS2::Hamiltonian
Hamiltonian(const bool fileh5, const string main_file=HAMILTONIAN_ParentStorageName, const string file_tmat=HAMILTONIAN_TmatStorageName, const string file_vmat=HAMILTONIAN_VmatStorageName)CheMPS2::Hamiltonian
read(const string file_parent=HAMILTONIAN_ParentStorageName, const string file_tmat=HAMILTONIAN_TmatStorageName, const string file_vmat=HAMILTONIAN_VmatStorageName)CheMPS2::Hamiltonian
readfock(const string fockfile, double *fockmx, const bool printinfo) const CheMPS2::Hamiltonian
save(const string file_parent=HAMILTONIAN_ParentStorageName, const string file_tmat=HAMILTONIAN_TmatStorageName, const string file_vmat=HAMILTONIAN_VmatStorageName) const CheMPS2::Hamiltonian
setEconst(const double val)CheMPS2::Hamiltonian
setTmat(const int index1, const int index2, const double val)CheMPS2::Hamiltonian
setVmat(const int index1, const int index2, const int index3, const int index4, const double val)CheMPS2::Hamiltonian
writeFCIDUMP(const string fcidumpfile, const int Nelec, const int TwoS, const int TargetIrrep) const CheMPS2::Hamiltonian
~Hamiltonian()CheMPS2::Hamiltonianvirtual