Searched refs:qDiffAtom (Results 1 – 1 of 1) sorted by relevance
454 real(dp), allocatable :: qDiffShell(:,:), qDiffAtom(:) local462 allocate(qDiffAtom(this%nAtoms))473 qDiffAtom(:) = qOutAtom - this%chargesPerAtom501 & * qDiffAtom(iAt1))508 & * qDiffAtom(iAt2f))