You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Currently, we allow weights for each dimension, and then use a (diagonal) weight matrix. In some applications in quantum mechanics, it would be useful to have a positive semidefinite weight matrix (which would be symmetric in all cases I can imagine). The idea would be to let the user pass a vector (then construct a diagonal weight matrix) or a matrix (then use the matrix).
In the cases I'm thinking about, the weight matrix would be the atomic-orbital overlap matrix or the one-electron reduced density matrix.
The text was updated successfully, but these errors were encountered:
Currently, we allow weights for each dimension, and then use a (diagonal) weight matrix. In some applications in quantum mechanics, it would be useful to have a positive semidefinite weight matrix (which would be symmetric in all cases I can imagine). The idea would be to let the user pass a vector (then construct a diagonal weight matrix) or a matrix (then use the matrix).
In the cases I'm thinking about, the weight matrix would be the atomic-orbital overlap matrix or the one-electron reduced density matrix.
The text was updated successfully, but these errors were encountered: