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These are some parts of the code that I recently found hard to understand and would like to see if there is a clearer way of documenting:
The subroutine "density" (and therefore, obtain_new_P) does not return the density matrix per se. It returns a matrix that equals the density matrix in the diagonal but is multiplied times 2 in the non diagonal terms.
The subroutine calc_fock_conmuts does not perform just the commutation, but a base change in the same concerted calculation.
Further stuff to be added.
The text was updated successfully, but these errors were encountered:
These are some parts of the code that I recently found hard to understand and would like to see if there is a clearer way of documenting:
The subroutine "density" (and therefore, obtain_new_P) does not return the density matrix per se. It returns a matrix that equals the density matrix in the diagonal but is multiplied times 2 in the non diagonal terms.
The subroutine calc_fock_conmuts does not perform just the commutation, but a base change in the same concerted calculation.
Further stuff to be added.
The text was updated successfully, but these errors were encountered: