Refactor: remove GlobalC::ucell in esolver #5569
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mohanchen
reviewed
Nov 22, 2024
|
this is really a fantastic PR, it reduces the coupling between the specific structure (described by UnitCell instance) and method to calculate energy/force/stress/... and motions. What I care additionally is the possibility of handling more than one structures simultaneously, this PR at least makes it possible. |
mohanchen
approved these changes
Nov 24, 2024
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