electronic-structure / SIRIUS

Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
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[enhancement] Simplify the implementation of non-local stress. #820

Closed toxa81 closed 1 year ago

toxa81 commented 1 year ago

Also in this PR:

mtaillefumier commented 1 year ago

let check the formula just to avoid a simple mistake