Commit ecd39c2e authored by Robin Hilgers's avatar Robin Hilgers

Fixed Fully Fully related issue: Min. charge set not needed in FFNoco case for...

Fixed Fully Fully related issue: Min. charge set not needed in FFNoco case for off diagonals of density matrix.
parent cadb05da
......@@ -149,7 +149,7 @@ CONTAINS
ENDIF
!Set charge to minimum value
IF (PRESENT(ch)) THEN
WHERE (ABS(ch_tmp) < d_15) ch_tmp = d_15
WHERE (ABS(ch_tmp(:nsp,1:2)) < d_15) ch_tmp(:nsp,1:2) = d_15
ch(kt + 1:kt + nsp, :) = ch_tmp(:nsp, :)
ENDIF
kt = kt + nsp
......
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