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Fix: Sign problem in DeePKS cal_pdm(). (#6082) Container #2604: Commit 60a408a pushed by mohanchen
45m 6s develop
develop
45m 6s
Update ABACUS output formats, accept it after 3.10 version (#6076) Container #2603: Commit 35448cb pushed by mohanchen
45m 4s develop
develop
45m 4s
Stable branch : update to version 3.10.0 (#6077) Container #2602: Commit 8eed91d pushed by dyzheng
6h 17m 35s v3.10.0
v3.10.0
6h 17m 35s
modify warning output (#6074) Container #2601: Commit 39b03c1 pushed by mohanchen
1h 17m 21s develop
develop
1h 17m 21s
Tests: remove mock of print func in md/esolver tests (#6073) Container #2600: Commit 26d8284 pushed by mohanchen
46m 1s develop
develop
46m 1s
Refactor: reduce the memory consumption of cal_gint_vlocal (#6069) Container #2599: Commit 2fead84 pushed by mohanchen
45m 15s develop
develop
45m 15s
fixing issue #5961 (#6071) Container #2598: Commit 5b19d01 pushed by mohanchen
59m 30s develop
develop
59m 30s
Refactor:Change potentials to module_pot (#6070) Container #2597: Commit cac78df pushed by mohanchen
44m 23s develop
develop
44m 23s
add a check before calculating EXX force (#6067) Container #2596: Commit e506d00 pushed by mohanchen
46m 0s develop
develop
46m 0s
Perf: optimize cal_DMR and folding_HR (#6068) Container #2595: Commit c12bd52 pushed by mohanchen
44m 54s develop
develop
44m 54s
fix an output for debug (#6066) Container #2594: Commit 8b24258 pushed by mohanchen
1h 38m 0s develop
develop
1h 38m 0s
Refactor: Remove some files in DeePKS and add some features. (#6065) Container #2593: Commit 391b41b pushed by mohanchen
1h 12m 48s develop
develop
1h 12m 48s
Feature&Docs: support the indent control on FmtTable (#6055) Container #2592: Commit 4adc91b pushed by mohanchen
59m 18s develop
develop
59m 18s
Feature: write Vxc(R) (#6061) Container #2591: Commit 2e13f9f pushed by mohanchen
1h 0m 2s develop
develop
1h 0m 2s
Fix: nan values in LCAO band-decomposed charge density (get_pchg) (#6… Container #2590: Commit cdc88cf pushed by mohanchen
1h 0m 40s develop
develop
1h 0m 40s
Refactor: set dm_to_rho as a new esolver (#6059) Container #2589: Commit ef61f00 pushed by mohanchen
44m 52s develop
develop
44m 52s
Update output formats in running.log (#6053) Container #2588: Commit e119b1f pushed by Qianruipku
44m 37s develop
develop
44m 37s
[Toolchain] pack-run and package url (#6051) Container #2587: Commit c1c0b0b pushed by mohanchen
53m 24s develop
develop
53m 24s
Refactor symmetr.cpp, update some output formats in surfchem, etc. (#… Container #2586: Commit 239cc0a pushed by mohanchen
44m 13s develop
develop
44m 13s
Reopen unit test for DeePKS multi-k case. (#6039) Container #2585: Commit 924d29d pushed by mohanchen
1h 2m 18s develop
develop
1h 2m 18s
Add templates for recip_to_real in the pw_basis (#6023) Container #2584: Commit 2610f1e pushed by mohanchen
1h 48m 21s develop
develop
1h 48m 21s
Fix: add the print header for cusolvermp in scf info (#6038) Container #2583: Commit d591a60 pushed by mohanchen
1h 52m 6s develop
develop
1h 52m 6s
Fix: DFT+U force&stress with of some elements are -1 (#6049) Container #2582: Commit bbc0a91 pushed by mohanchen
1h 38m 15s develop
develop
1h 38m 15s
directly enter exx loop when init_wfc=file (#6019) Container #2581: Commit 0ec187d pushed by mohanchen
44m 25s develop
develop
44m 25s
Fix: Enable EXX PW ACE only when separate_loop is on (#6043) Container #2580: Commit d749424 pushed by mohanchen
58m 6s develop
develop
58m 6s