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Refactor: remove nscf() (#5455) Container #2263: Commit 9cc7f89 pushed by mohanchen
1h 2m 1s develop
develop
1h 2m 1s
Perf: minor optimization in module_lr (#5435) Container #2262: Commit 2a40059 pushed by mohanchen
1h 3m 55s develop
develop
1h 3m 55s
Toolchain update: use new intel-OneAPI compiler as default (#5458) Container #2261: Commit 05de419 pushed by WHUweiqingzhou
1h 3m 26s develop
develop
1h 3m 26s
Feature: change the default value of printe from 100 to `scf_nmax… Container #2260: Commit 22b85f9 pushed by dyzheng
1h 3m 46s develop
develop
1h 3m 46s
Refactor:Replace the current fft with templates and polymorphism (#5410) Container #2259: Commit 7c46674 pushed by mohanchen
3h 17m 42s develop
develop
3h 17m 42s
Fix R-index mismatch in lr_util_hcontainer (#5456) Container #2258: Commit 8d6e593 pushed by mohanchen
3h 26m 58s develop
develop
3h 26m 58s
Code: divide charge_mixing.cpp into some files (#5427) Container #2257: Commit 2f15c55 pushed by mohanchen
3h 26m 20s develop
develop
3h 26m 20s
Add function to support reading cereal binary format HexxR files. (#5… Container #2256: Commit 42492ee pushed by mohanchen
3h 26m 18s develop
develop
3h 26m 18s
update toolchain LibComm sha256 (#5454) Container #2255: Commit 67e6cbb pushed by mohanchen
3h 27m 21s develop
develop
3h 27m 21s
fixing the sigma value in example input files and adding comments to … Container #2254: Commit 4835dd0 pushed by mohanchen
3h 34m 35s develop
develop
3h 34m 35s
Refactor: runner() of esolver_ks (#5445) Container #2253: Commit c03c879 pushed by mohanchen
2h 32m 32s develop
develop
2h 32m 32s
fix dsygvx (#5443) Container #2252: Commit 32ba8d4 pushed by mohanchen
37m 22s develop
develop
37m 22s
Fix blas_connector.cpp warnings and math_kernel_op.cu warnings (#5444) Container #2251: Commit cead7ce pushed by mohanchen
37m 14s develop
develop
37m 14s
fix the conficit between mixing_restart and scf_os_stop (#5440) Container #2250: Commit b63aad4 pushed by dyzheng
47m 54s develop
develop
47m 54s
Fix: potential segmentation fault in DFTU force&stress (#5439) Container #2249: Commit 2d3bf57 pushed by WHUweiqingzhou
37m 30s develop
develop
37m 30s
Feature：Now sDFT support GPU (#5423) Container #2248: Commit 7da86cd pushed by mohanchen
47m 54s develop
develop
47m 54s
Integration test: Rename folders for consistency with get_pchg and … Container #2247: Commit 83efe85 pushed by mohanchen
50m 7s develop
develop
50m 7s
Feature: add interface Gint::psir_func (#5380) Container #2246: Commit 3da2868 pushed by mohanchen
49m 35s develop
develop
49m 35s
Remove git submodule LibRI and LibComm (#5428) Container #2245: Commit 01beb19 pushed by mohanchen
37m 26s develop
develop
37m 26s
Fix&Refactor: soc force/stress error for LCAO code, refactor the forc… Container #2244: Commit 502fdec pushed by mohanchen
46m 57s develop
develop
46m 57s
Refactor: refactor iter_finish and iter_init (#5426) Container #2243: Commit d81cb46 pushed by mohanchen
37m 44s develop
develop
37m 44s
Feature: enable ABACUS can finish SCF if charge density oscillation i… Container #2242: Commit 0d455cb pushed by WHUweiqingzhou
38m 7s develop
develop
38m 7s
Refactor: modify EXX realx/md calculation framework (#5403) Container #2241: Commit cc9d759 pushed by mohanchen
1h 14m 14s develop
develop
1h 14m 14s
Fix: update the example of vdwd3 acoording to the latest impl. (#5418) Container #2240: Commit d533ad5 pushed by mohanchen
1h 13m 47s develop
develop
1h 13m 47s
Refactor: remove useless functions in esolver (#5416) Container #2239: Commit dd862ea pushed by YuLiu98
1h 13m 16s develop
develop
1h 13m 16s