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devcontainer.yml
473 workflow run results
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exclude toolchain/install/ in .gitignore after toolchain run (#6033) Container #2576: Commit 7e4d663 pushed by mohanchen
53m 58s develop
develop
53m 58s
Fix: Angular momentum quantum number check in reading SOC pseudopot f… Container #2575: Commit 28a3540 pushed by mohanchen
53m 7s develop
develop
53m 7s
Add two LCAO base group GPU version compilation options in toolchain … Container #2574: Commit 76af832 pushed by mohanchen
55m 51s develop
develop
55m 51s
Update latest Intel oneAPI default compiler for cxx (#6035) Container #2573: Commit 65171f9 pushed by mohanchen
44m 18s develop
develop
44m 18s
Fix: Enhance the warning message when the XC name cannot be recognize… Container #2572: Commit fa3b783 pushed by mohanchen
1h 0m 46s develop
develop
1h 0m 46s
Fix: calculate magnetic moments with onsite_radius>0 (#6024) Container #2571: Commit bc05444 pushed by mohanchen
44m 40s develop
develop
44m 40s
Add genelpa warning if matrix is not positive definite (#6022) Container #2570: Commit 06df0ee pushed by mohanchen
1h 0m 7s develop
develop
1h 0m 7s
Refactor: math_kernel_op (#6020) Container #2569: Commit 0c9b227 pushed by mohanchen
44m 22s develop
develop
44m 22s
Feature: Make KG-KSDFT support GPU (#6013) Container #2568: Commit 8973c25 pushed by mohanchen
58m 56s develop
develop
58m 56s
[Fix] Fix DCU port compilation error (#6017) Container #2567: Commit 98f7a55 pushed by mohanchen
1h 0m 22s develop
develop
1h 0m 22s
Fix : out_mat_dh will lead to different result with MPI-1core with MP… Container #2566: Commit 0480f52 pushed by mohanchen
44m 17s develop
develop
44m 17s
fix the format (#6008) Container #2565: Commit 3d0de86 pushed by mohanchen
1h 32m 30s develop
develop
1h 32m 30s
test: fix Dockerfile.intel (#5999) Container #2564: Commit 23ee3e1 pushed by mohanchen
1h 41m 53s develop
develop
1h 41m 53s
Test: add test and output for dry run (#6015) Container #2563: Commit 9c01298 pushed by mohanchen
1h 11m 31s develop
develop
1h 11m 31s
Tests: one integrate test for exx pw, only for verifying whether exx … Container #2562: Commit 7838569 pushed by AsTonyshment
28m 52s v3.9.0.2
v3.9.0.2
28m 52s
Tests: one integrate test for exx pw, only for verifying whether exx … Container #2561: Commit 7838569 pushed by mohanchen
1h 37m 35s develop
develop
1h 37m 35s
Tests: Add GPU tests for out_wfc_pw & out_wfc_r (#5989) Container #2560: Commit 4decdac pushed by mohanchen
1h 26m 4s develop
develop
1h 26m 4s
Toolchain 202501 (#5980) Container #2559: Commit a295d38 pushed by mohanchen
1h 15m 6s develop
develop
1h 15m 6s
[Refactor] Remove my_math.hpp (#6002) Container #2558: Commit c93cd1a pushed by mohanchen
1h 5m 30s develop
develop
1h 5m 30s
v3.9.0.2 (#6007) Container #2557: Commit 0d9f762 pushed by mohanchen
39m 53s develop
develop
39m 53s
Doc: polish Quick Start part of online doc (#6006) Container #2556: Commit 586a02b pushed by dyzheng
39m 34s develop
develop
39m 34s
test: correct INPUT of examples/spin_polarized/ATOM (#5998) Container #2555: Commit 992f39e pushed by mohanchen
44m 48s develop
develop
44m 48s
Fix: One segmentation fault related to EXX PW (#5993) Container #2554: Commit f93b3a9 pushed by mohanchen
1h 5m 21s develop
develop
1h 5m 21s
Refactor: move psi init to before_all_runners (#5992) Container #2553: Commit f3c6cfc pushed by mohanchen
1h 24m 41s develop
develop
1h 24m 41s
Feature: Hybrid functionals for planewave basis (#5940) Container #2552: Commit 33d0b4f pushed by mohanchen
48m 35s develop
develop
48m 35s