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Refactor parallel communicators, Introduce module_parallel and migra… Container #473: Commit ee450d9 pushed by AsTonyshment
1s develop
develop
1s
Update DFPT (pw) codes (#7894) Container #472: Commit c2fa3ac pushed by AsTonyshment
1s develop
develop
1s
DFT+U refactor, step 6 (#7879) Container #471: Commit bbd23ca pushed by AsTonyshment
2s develop
develop
2s
Initial implementation of a density-functional perturbation theory co… Container #470: Commit 94c4bc5 pushed by AsTonyshment
2s develop
develop
2s
Parallel MD (#7812) Container #469: Commit 3df3bb4 pushed by AsTonyshment
1s develop
develop
1s
Fix: revert #7664 $m_y$ convention (#7832) Container #468: Commit f29968d pushed by AsTonyshment
1s develop
develop
1s
Fix: Restore LibXC functional IDs after XC split (#7884) Container #467: Commit c7d4f96 pushed by AsTonyshment
1s develop
develop
1s
Split some large files (fs_nonlocal_tools.cpp, onsite_proj.cpp, to_wa… Container #466: Commit 94576a8 pushed by AsTonyshment
1s develop
develop
1s
Refactor DFT+U, step 5 (#7867) Container #465: Commit 370e024 pushed by AsTonyshment
1s develop
develop
1s
Fix: Initialize LCAO LDOS DMR independently (#7874) Container #464: Commit 1b3baf0 pushed by AsTonyshment
1s develop
develop
1s
Refactor: Remove obsolete cg_in_lcao code (#7870) Container #463: Commit e461ffd pushed by AsTonyshment
1s develop
develop
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Fix: Correct LCAO real-space wavefunctions and partial-charge handlin… Container #462: Commit 74dcbdf pushed by AsTonyshment
1s develop
develop
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Refactor DFT+U, step 4 (#7861) Container #461: Commit 5fb17a6 pushed by AsTonyshment
1s develop
develop
1s
test: add validated NAO cases to CUDA CI (#7856) Container #460: Commit 8d8884b pushed by AsTonyshment
10s develop
develop
10s
Refactor DFT+U: rename and de-static Plus_U members, step 3 (#7859) Container #459: Commit 0aa8d8b pushed by AsTonyshment
3m 39s develop
develop
3m 39s
update CASES_GPU (#7862) Container #458: Commit 8925fdc pushed by AsTonyshment
6s develop
develop
6s
Add a python script to test the code quality of ABACUS codes (#7843) Container #457: Commit c9bae03 pushed by AsTonyshment
7s develop
develop
7s
Refactor DFT+U codes (#7852) Container #456: Commit 12ecc79 pushed by AsTonyshment
7s develop
develop
7s
Docker: Move PEXSI installation from Dockerfile.intel to Dockerfile.g… Container #455: Commit f7209c8 pushed by AsTonyshment
2s develop
develop
2s
fix(gpu): avoid host-side FFT crash in LDOS output and wfc-read charg… Container #454: Commit cda0a73 pushed by AsTonyshment
1s develop
develop
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Fix: calculate net force after symmetrization (#7846) Container #453: Commit 0dca9dd pushed by AsTonyshment
1s develop
develop
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Remove GlobalC::exx_info entirely, refactor ESolver, add esolver_refa… Container #452: Commit fac9330 pushed by AsTonyshment
10s develop
develop
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Fix: refresh v_eff again after updating XC type (#7840) Container #451: Commit 815c370 pushed by AsTonyshment
1s develop
develop
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Fix 007_PW_UPF201_USPP_Fe in 01_PW: G=0 indexing in nspin=2 mixing in… Container #450: Commit cd270a7 pushed by AsTonyshment
1s develop
develop
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Fix: add 'template' keyword for dependent eval_wfc_bloch call (#7827) Container #449: Commit c0d1dcd pushed by AsTonyshment
1s develop
develop
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