deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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Rewrite test for HSolver #5442

Open Cstandardlib opened 2 weeks ago

Cstandardlib commented 2 weeks ago

Describe the Testing Issue

We need clear unit tests for

Additional Context

No response

Task list for Issue attackers (only for developers)

Cstandardlib commented 2 weeks ago

Now that HSolver_PW solvers take raw data (T *), while tests still depend on Hamilt and Psi custom types. They are unreadable and difficult to test and debug. We can update the tests to match the modified code interface.