Comments (1)
I chceked the code again, and because the diag function requires both dim and dmx parameters, the two parts of the code are not easy to combine.
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Related Issues (20)
- Tests: we need a more comprehensive DCU test report. HOT 2
- Feature: output magnetic moment, polar Angle and azimuth Angle for each atom (From abacusmodeling:#302)
- Useless code should be deleted in LCAO
- An issue about the Abacus Document 'Easy Installation' part
- Startup Timeout when HSE SCF used in large Fe5C2 surface system HOT 3
- Refactor LCAO code Step 2
- DFT+U SCF CANNOT converge in CeO2 surface HOT 1
- [APNS] on the inclusion of pseudopotentials of Actinides: requires enhanced flexibility of file management HOT 1
- SCF is hard to converge
- Refactor: `formatter::context_fmt::set_context()` function will be refactored to enhance flexibility
- Test: there are cross-interference between test cases in `cell_klist_test` suite
- Test: need benchmark for hsolver math kernels
- Extremely bug: get_DMK_vector()!
- The output of MD with OFDFT is hexadecimal HOT 2
- The current Davidson iteration method for pw basis has low computation efficiency.
- Refactor LCAO code Step 3
- soc calculations with and without noncolin give different results HOT 3
- clang-format and clang-tidy is not employed
- memory leak from sanitizer diagnosis HOT 1
- Enable the calculation=test_memory function again
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