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Fix: Fix memory leak introduced by new gint module (#6375) Container #2774: Commit 012c216 pushed by mohanchen
19m 2s develop
develop
19m 2s
Refactor: Remove redundant Input_para from ESolver Class (#6370) Container #2773: Commit 7c68dfc pushed by mohanchen
33m 17s develop
develop
33m 17s
Feature: Support linear combination of coulomb_param for EXX PW (#6371) Container #2772: Commit b8e9264 pushed by mohanchen
1h 39m 43s develop
develop
1h 39m 43s
Improve md calculation stress output in running log (#6366) Container #2771: Commit db41600 pushed by mohanchen
1h 35m 29s develop
develop
1h 35m 29s
Uploading hybrid gauge tddft (#6369) Container #2770: Commit 8e8c30f pushed by mohanchen
49m 26s develop
develop
49m 26s
Print eigenvalues for all k-points in running log when kpar > 1 (#6367) Container #2769: Commit b554f40 pushed by mohanchen
18m 39s develop
develop
18m 39s
Refactor: the initialization scheme in LRI_CV (#6363) Container #2768: Commit 3a842b0 pushed by mohanchen
32m 51s develop
develop
32m 51s
[Refactor] Move module_parameter to source_io. Reorganize source_lcao… Container #2767: Commit c873197 pushed by mohanchen
35m 6s develop
develop
35m 6s
Feature: Implement Xu-Wang-Ma KEDF (#6359) Container #2766: Commit 83709c9 pushed by mohanchen
35m 36s develop
develop
35m 36s
update version (#6360) Container #2765: Commit 3bb2226 pushed by dzzz2001
55m 36s v3.9.0.9
v3.9.0.9
55m 36s
update version (#6360) Container #2764: Commit 3bb2226 pushed by sunliang98
51m 27s develop
develop
51m 27s
Feature: long-range corrected hybrid functionals implementation with … Container #2763: Commit ab49ad9 pushed by mohanchen
33m 16s develop
develop
33m 16s
Fix: Add MPI synchronization for ekb band energy tensor, and now GP… Container #2762: Commit 4b15663 pushed by mohanchen
1h 10m 11s develop
develop
1h 10m 11s
Fix calculation type inconsistency across MPI ranks (#6356) Container #2761: Commit 918d11b pushed by mohanchen
30m 32s develop
develop
30m 32s
[Refactor] Rename module_tddft and hamilt_ofdft and hamilt_stodft and… Container #2760: Commit f5e43ab pushed by mohanchen
35m 22s develop
develop
35m 22s
type 1 fix with std::complex (#6346) Container #2759: Commit ca96d8e pushed by mohanchen
1h 8m 45s develop
develop
1h 8m 45s
Refactor: Refactor KEDF management in ESolver_OF (#6349) Container #2758: Commit 47bfd69 pushed by mohanchen
18m 51s develop
develop
18m 51s
Refactor: new ccp param framework (#6350) Container #2757: Commit 8528f51 pushed by PeizeLin
32m 13s develop
develop
32m 13s
[Refactor] Move module_ri to source_lcao/module_ri and module_rdmft t… Container #2756: Commit 174f31f pushed by mohanchen
56m 35s develop
develop
56m 35s
Remove useless and outdated write_psi_r_1 interface and improve rel… Container #2755: Commit 2260530 pushed by mohanchen
58m 1s develop
develop
58m 1s
Add "#TOTAL ENERGY#" after each ion step (#6342) Container #2754: Commit e7917d4 pushed by mohanchen
46m 2s develop
develop
46m 2s
add exx nscf file check (#6289) Container #2753: Commit e84abb4 pushed by PeizeLin
21m 19s LTS
LTS
21m 19s
Rename module_md module_relax module_hamilt_lcao module_io (#6340) Container #2752: Commit adaa38e pushed by mohanchen
46m 10s develop
develop
46m 10s
new gint module (This is a big PR that replaces old integral codes) (… Container #2751: Commit 96730e8 pushed by mohanchen
47m 36s develop
develop
47m 36s
Remove INPUT parameter nbands_istate and unify the naming of real s… Container #2750: Commit 9631697 pushed by mohanchen
1h 0m 23s develop
develop
1h 0m 23s
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