Refactor: remove GlobalC::ucell in esolver #5569
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mohanchen
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Nov 22, 2024
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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
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Nov 24, 2024
Fisherd99
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Mar 31, 2025
* Refactor: remove GlobalC::ucell in esolver * [pre-commit.ci lite] apply automatic fixes * update next_direct * Refactor: put ucell as the first parameter * rename cell to ucell * update unitests * update opt_TN.hpp --------- Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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