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remove deprecated INPUT exx parameters (#6317) Container #2735: Commit 8419964 pushed by mohanchen
45m 23s develop
develop
45m 23s
print out geometry information during bfgs_trad relax (#6314) Container #2734: Commit 5f96c22 pushed by mohanchen
1h 0m 36s develop
develop
1h 0m 36s
Refactor: change the name of keyword force_thr_ev2 to `force_zero_o… Container #2733: Commit 8d6b780 pushed by mohanchen
59m 44s develop
develop
59m 44s
[Refactor] Rename module_base to source_base (#6311) Container #2732: Commit abcb9f2 pushed by mohanchen
45m 12s develop
develop
45m 12s
Refactor: the ccp parameters to support additional Coulomb matrix con… Container #2731: Commit a145293 pushed by mohanchen
45m 33s develop
develop
45m 33s
Combine relax_new with relax_old (#6303) Container #2730: Commit fe44679 pushed by mohanchen
45m 25s develop
develop
45m 25s
add write_libxc_r (#6293) Container #2729: Commit 9ac5750 pushed by mohanchen
45m 58s develop
develop
45m 58s
[Refactor] Rename module_hsolver to source_hsolver (#6305) Container #2728: Commit 9efc3e9 pushed by mohanchen
45m 31s develop
develop
45m 31s
Rename module_esolver to source_esolver (#6300) Container #2727: Commit dc4a8f5 pushed by mohanchen
1h 22m 50s develop
develop
1h 22m 50s
Update output filenames for PCHG (#6299) Container #2726: Commit 5011d10 pushed by mohanchen
1h 19m 45s develop
develop
1h 19m 45s
Feature: add complex erf function (#6301) Container #2725: Commit 415390d pushed by mohanchen
46m 49s develop
develop
46m 49s
refactor Exx_Info::coulomb_param for RI (#6295) Container #2724: Commit eb7b555 pushed by mohanchen
59m 15s develop
develop
59m 15s
[Refactor] Move certain files to source_main (#6290) Container #2723: Commit 9b0c1f7 pushed by mohanchen
45m 32s develop
develop
45m 32s
Change examples and update DOS files, etc. (#6291) Container #2722: Commit 725baaf pushed by mohanchen
45m 8s develop
develop
45m 8s
Refactor: Optimize the code structure of K_Vectors (#6263) Container #2721: Commit 6126843 pushed by Flying-dragon-boxing
44m 48s develop
develop
44m 48s
Feature: universal customized parameterization on exchange-correlatio… Container #2720: Commit 6742c15 pushed by mohanchen
58m 40s develop
develop
58m 40s
Refactor: Combine some checking functions in DeePKS. (#6285) Container #2719: Commit 3cad424 pushed by mohanchen
1h 4m 9s develop
develop
1h 4m 9s
Refactor: Migrate ML KEDF Descriptor Calculation & Output to module_i… Container #2718: Commit 83aee57 pushed by mohanchen
1h 4m 6s develop
develop
1h 4m 6s
add exx nscf file check (#6288) Container #2717: Commit 42042b4 pushed by mohanchen
44m 42s develop
develop
44m 42s
Feature: Implement cal_force_op for sincos parallel (#6265) Container #2716: Commit 808af53 pushed by mohanchen
1h 28m 9s LTS
LTS
1h 28m 9s
Refactor: replace ENABLE_DEEPKS & ENABLE_MLKEDF with ENABLE_MLALGO (#… Container #2715: Commit 7155c3f pushed by mohanchen
44m 34s develop
develop
44m 34s
fix a bug (#6283) Container #2714: Commit 12acec2 pushed by mohanchen
46m 33s develop
develop
46m 33s
Move DeePKS printing message from screen to log file. (#6281) Container #2713: Commit db9c16c pushed by mohanchen
1h 7m 25s develop
develop
1h 7m 25s
Update the 'get_s' command and related description. Update the 'DOS' … Container #2712: Commit 20142c8 pushed by mohanchen
1h 10m 15s develop
develop
1h 10m 15s
Reconstruct the LCAO codes for the parameter 'PARAM.inp.out_interval'… Container #2711: Commit a05c14a pushed by mohanchen
44m 15s develop
develop
44m 15s