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devcontainer.yml
498 workflow run results
498 workflow run results

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Fix: add MPI_Finalize in QUIT function (#6160) Container #2647: Commit 8fc7c42 pushed by mohanchen
46m 55s develop
develop
46m 55s
Delete some useless integrate tests (#6164) Container #2646: Commit 415b12e pushed by mohanchen
45m 46s develop
develop
45m 46s
Add Gtest for GPU pw_basis and pw_basis_k (#6087) Container #2645: Commit fd6fff7 pushed by mohanchen
44m 23s develop
develop
44m 23s
Fix periodic boundary condition search by making search_pbc always tr… Container #2644: Commit 5f97360 pushed by mohanchen
56m 16s develop
develop
56m 16s
Refactor the rt-TDDFT integrate tests (#6157) Container #2643: Commit 549a85a pushed by mohanchen
44m 29s develop
develop
44m 29s
Use phialpha in calculate_HR in DeePKS to avoid duplicate calculation… Container #2642: Commit fcadc37 pushed by mohanchen
1h 2m 30s develop
develop
1h 2m 30s
Fix a DeePKS bug. (#6155) Container #2641: Commit 8c397d9 pushed by mohanchen
43m 47s develop
develop
43m 47s
Update get_wf codes and output formats (#6154) Container #2640: Commit a5dea9d pushed by YuLiu98
44m 37s develop
develop
44m 37s
Feature: add out_mat_ds to print <phi|dphi> matrix (#6149) Container #2639: Commit 8a08196 pushed by mohanchen
44m 59s develop
develop
44m 59s
delete some useless integrate tests (in my opinions, we are wasting t… Container #2638: Commit b7547a6 pushed by YuLiu98
44m 32s develop
develop
44m 32s
Refactor: reduce the read-in loop in sts_line (#6148) Container #2637: Commit 42e098c pushed by mohanchen
44m 42s develop
develop
44m 42s
Update DOS codes and related changes with respect to 'magnetzation' v… Container #2636: Commit 3170cbe pushed by ErjieWu
57m 28s v3.9.0.3
v3.9.0.3
57m 28s
Update DOS codes and related changes with respect to 'magnetzation' v… Container #2635: Commit 3170cbe pushed by mohanchen
45m 32s develop
develop
45m 32s
Update version.h (#6143) Container #2634: Commit 74cbb38 pushed by mohanchen
44m 16s develop
develop
44m 16s
Fix: update weight in ldos (#6144) Container #2633: Commit d450c6e pushed by mohanchen
46m 55s develop
develop
46m 55s
Fix: Avoid hexadecimal output during relax process of HSE (#6146) Container #2632: Commit 92c2813 pushed by mohanchen
45m 49s develop
develop
45m 49s
Fix: Enhance the computational stability of tau_vw. (#6136) Container #2631: Commit 2694873 pushed by ErjieWu
1m 49s v3.9.0.3
v3.9.0.3
1m 49s
Fix: Enhance the computational stability of tau_vw. (#6136) Container #2630: Commit 2694873 pushed by mohanchen
49m 12s develop
develop
49m 12s
Feature: add postprocess for stm plot (#6137) Container #2629: Commit 1026fa4 pushed by mohanchen
49m 2s develop
develop
49m 2s
Refactor: Move cal_tau to esolver_ks.cpp. (#6135) Container #2628: Commit 00dcc80 pushed by YuLiu98
44m 55s develop
develop
44m 55s
Fix some output information typo (#6133) Container #2627: Commit 274477a pushed by mohanchen
44m 10s develop
develop
44m 10s
Refactor the LCAO DOS codes (#6127) Container #2626: Commit 072d03e pushed by YuLiu98
1h 1m 23s develop
develop
1h 1m 23s
Feature: Add gamma point extrapolation for EXX PW (#6118) Container #2625: Commit 28d8902 pushed by mohanchen
45m 28s develop
develop
45m 28s
Feature: ldos in lcao basis sets (#6123) Container #2624: Commit 48434f0 pushed by mohanchen
1h 37m 23s develop
develop
1h 37m 23s
Fix: bug of divide_mpi_groups (#6120) Container #2623: Commit ef95b28 pushed by mohanchen
1h 9m 11s develop
develop
1h 9m 11s