Comments (1)
From tests, all three solver has same result, this case is hard to convergent.
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Related Issues (20)
- Bug: ABACUS `esolver_type lj` is not implemented correctly thus not practically usable
- diffierent output between v3.5.1(gnu) v3.6.5(intel) HOT 7
- Test: need to support reading the threshold from file in integrate test
- Failed clang-tidy/clang-format action might break the code HOT 5
- Why the charge file .cube still output when i set `out_chg=0`? HOT 2
- DM_R should be removed in class Gint_inout
- support giant basis calculation HOT 1
- SOC "Caught signal 11 (Segmentation fault: address not mapped to object at address 0x10)" error
- Replace the LOC.ParaV-> by orb_con.ParaV. in ESolver_KS_LCAO_TDFT
- ERROR when using ASE-ABACUS with different ABACUS version HOT 2
- Bug: `get_wf` seems not work properly
- Clarity of Code Changes in Pull Requests Compromised by Pre-Commit Formatting HOT 1
- Remove the dependency of IState_Charge on LOC
- Compile the serial ABACUS failed with RAPID_JSON=ON
- Code does not exit even when errors are encountered HOT 1
- out_pot does not work for nscf calculations
- (Possible) Bug: memory leak detected by clang-tidy in `read_wfc_nao.cpp` file
- Refactor: numerical_basis functions are highly memory-demanding
- Weekly example test failed at 20240626 HOT 1
- Refactor: `check_structure()` should be removed from `UnitCell`
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