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Simulation analysis incorrect: occurrences_per_atom #23

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sivonxay opened this issue Jul 7, 2022 · 0 comments
Open

Simulation analysis incorrect: occurrences_per_atom #23

sivonxay opened this issue Jul 7, 2022 · 0 comments
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sivonxay commented Jul 7, 2022 •
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In the analysis, the occurrences_per_atom is incorrectly calculated. It should be calculated without division by simulation time.

In the meantime, this value can be easily obtained by multiplying the dndt_per_atom by simulation_time
@sivonxay sivonxay added the bug Something isn't working label Jul 7, 2022
@sivonxay sivonxay changed the title [Bug] Simulation analysis incorrect: occurrences_per_atom Simulation analysis incorrect: occurrences_per_atom Jul 7, 2022
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