The kappa derivatives are written using only the non-zero matrix elements of the two-body density matrix. Using ":"-slices requires more arithmetic operations and unpredictable memory access. The new functions result in a speed-up of roughly a factor of two.
The kappa derivatives are written using only the non-zero matrix elements of the two-body density matrix. Using ":"-slices requires more arithmetic operations and unpredictable memory access. The new functions result in a speed-up of roughly a factor of two.