Author Topic: Repetition score/ Electrode lengths  (Read 689 times)

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Offline Dipankar Saha

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Repetition score/ Electrode lengths
« on: August 31, 2018, 09:37 »

Hi,

What does the repetition score mean?  What do the repetition scores e.g. 102, -21, -48, etc. refer to  (while selecting the electrode lengths)?

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Dipankar

Offline Dipankar Saha

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Re: Repetition score/ Electrode lengths
« Reply #1 on: October 1, 2018, 09:27 »
Kindly Reply!

Offline Julian Schneider

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Re: Repetition score/ Electrode lengths
« Reply #2 on: October 1, 2018, 13:59 »
The repetition score is a measure for how many of the atoms in the electrode candidate can be repeated beyond the electrode extension in the central region by translating them by a multiple of the electrode length, minus the number of atoms in the electrode candidate itself.

    As an example: If we have 8 atoms in the electrode candidate, and we find 2 complete
    repetitions of these atoms beyond the electrode extension (translating them by 1*electrode_length, and by 2*electrode_length)
    then the score for this candidate would be 8.
    If we find exactly one complete repetition, the score would be zero.
    If only 4 of the 8 atoms are repeated, the score would be -4.

So, a negative score can still mean that the electrode candidate is suitable, but it is not always guaranteed.

Note that, all this applies to "full" (i.e. not minimal) electrodes.

Offline Dipankar Saha

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Re: Repetition score/ Electrode lengths
« Reply #3 on: October 3, 2018, 08:49 »
Thank you Julian for the details.

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