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Refactor: refactor psi init & wfinit class
Integration Test and Unit Test #10768: Pull request #5533 synchronize by haozhihan
3h 56m 59s haozhihan:hsolverpw
Refactor: refactor psi init & wfinit class
Integration Test and Unit Test #10767: Pull request #5533 synchronize by haozhihan
2h 22m 57s haozhihan:hsolverpw
Implement a new BFGS optimizer, used for geometry relaxation
Integration Test and Unit Test #10766: Pull request #5467 synchronize by 19hello
5h 13m 13s 19hello:mybfgs