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Mutating elements #179

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rc83 opened this issue Jul 25, 2019 · 0 comments
Open

Mutating elements #179

rc83 opened this issue Jul 25, 2019 · 0 comments
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enhancement 💪

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@rc83
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rc83 commented Jul 25, 2019

Vidar would like to have a system where Lennard-Jones parameters of a given element can change as a result of move.

As a quick implementation option could be to expose the init() method in an API of the MixerPairPotentialBase, possibly allowing recalculation only of affected pairs.

A better but more complex solution would be perhaps an observer pattern.
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@mlund @rc83