Jie Li

A physical background example

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目前最大最小值的幂法已经实现并通过benchmark测试，是否需要增加notebook展示一个具有物理背景的详细例子？ 其实可以用交互的blog来展示这个例子，相比上传Pluto文件对使用者更友好些？ @GiggleLiu 可能需要提供哈密顿矩阵的稀疏阵构造（直接用`sprand`可能不太合适）

[WIP] add HOEDMD

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**Description**: Add a new dmd-variant for pyDMD, HOEDMD. Here is the paper [link](https://doi.org/10.1137/21M1463665) and the Matlab implementation version can be found in [jieli-matrix/HOEDMD](https://github.com/jieli-matrix/HOEDMD). We extended HODMD to HOEDMD and designed...

### Details Now I have added google benchmark routine for ABACUS in #3511, developers can use benchmark to measure the time consumption & memory usage in a general manner. The...

### Background We will introduce a new wavefunction initialization method that leverages k-point continuity in reciprocal space to accelerate SCF convergence. The method may reduce diagonalization iterations by 20% for...

Bug: Make Build Fails for PW-only Configuration Due to LCAO Dependencies

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### Describe the bug We encountered issues when attempting to build a PW-only (Plane-Wave) version of ABACUS using the Make build system (`Makefile`, `Makefile.vars`, `Makefile.Objects`), specifically targeting a CUDA platform....