liiutao

Results 14 issues of liiutao

### Describe the Code Quality Issue the code in source/module_hamilt_lcao/module_gint/kernel/cuda doesn't follow the standards of software engineering,it should be designed to be more smlpilfy.It can be considered in the below...

GPU & DCU & HPC

In the current abacus code, cal_psir_ylm is not reused. Use some functions to calculate cal_psir_ylm to make it cleaner. Add Doxygen-style comments. Inout type files should not be placed in...

### Details The function cal_env_k does not contain OpenMP content. What is the purpose of this function and should it be added? ![image](https://github.com/user-attachments/assets/c47208df-4c9c-4546-8c22-80d118be95a7) source/module_hamilt_lcao/module_gint/gint_k_env.cpp:32 ![image](https://github.com/user-attachments/assets/64bbc536-d75f-474e-b062-a05a7609a23a) source/module_hamilt_lcao/module_gint/gint_gamma_env.cpp:26 ### Task list for...

Performance

### Describe the Testing Issue This integration test should prepare for the LCAO's GPU, but it uses the CPU command of LCAO. Should it be placed in the CPU tests...

Questions

### Linked Issue close #5137 ### Unit Tests and/or Case Tests for my changes - Change the Unit test of the nband,nlocal,nelec,updown ### What's changed? - As the last PR...

### Describe the Code Quality Issue The `CMakeLists.txt` for module_device in module_base is now commented out. It is written in the `CMakeLists.txt` in source, so there should be a module_device...

Compile & CICD & Docs

### Describe the Testing Issue When `BUILD_TESTING=ON` and `ENABLE_DEEPKS=ON` are used, the deepks unit tests should be compiled and executed. However, the current unit tests are commented out. Are there...

Questions

### Describe the Code Quality Issue The GlobalV is a set of external variables. It can be used throughout the program, but it can be modified from anywhere, making it...

The Absolute Zero

### Unit Tests and/or Case Tests for my changes - A unit test is added for recip_to_real and recip_to_recip which about float and double type in pw_basis - A unit...

Features Needed
Unit Tests/Integreate Tests

### Linked Issue Fix #6111 ### Unit Tests and/or Case Tests for My Changes - Added unit tests for the pw_basis float type. - Included integration tests for the pw_basis...