diff --git a/src/fqe/_fqe_control.py b/src/fqe/_fqe_control.py index 53e816f..208682a 100755 --- a/src/fqe/_fqe_control.py +++ b/src/fqe/_fqe_control.py @@ -446,7 +446,9 @@ def get_restricted_hamiltonian( """Initialize spin conserving spin restricted hamiltonian Args: - tensors (Tuple[numpy.ndarray, ...]) - tensors for the Hamiltonian elements + tensors (Tuple[numpy.ndarray, ...]) - tensors for the Hamiltonian elements. \ + Note that the tensor should be in a spin-free form; therefore, \ + the size of each dimension is the number of spatial orbitals. e_0 (complex) - scalar part of the Hamiltonian """ diff --git a/src/fqe/hamiltonians/restricted_hamiltonian.py b/src/fqe/hamiltonians/restricted_hamiltonian.py index 9c344b5..f0a61e7 100644 --- a/src/fqe/hamiltonians/restricted_hamiltonian.py +++ b/src/fqe/hamiltonians/restricted_hamiltonian.py @@ -34,9 +34,10 @@ def __init__(self, Arguments: tensors: Variable length tuple containg between one and four numpy.arrays of increasing rank. The tensors contain the - n-body hamiltonian elements. Tensors up to the highest - order must be included even if the lower terms are full of - zeros. + n-body hamiltonian elements in the spin-free form. + Therefore, the size of each dimension is the number of + spatial orbitals. Tensors up to the highest order must be + included even if the lower terms are full of zeros. e_0: Scalar potential associated with the Hamiltonian. """ super().__init__(e_0=e_0)