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584 workflow run results
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Fix: DFT+U force&stress with of some elements are -1 (#6049) Doxygen Documentation Deployment #872: Commit bbc0a91 pushed by mohanchen
3m 3s develop
develop
3m 3s
directly enter exx loop when init_wfc=file (#6019) Doxygen Documentation Deployment #871: Commit 0ec187d pushed by mohanchen
3m 56s develop
develop
3m 56s
Fix: Enable EXX PW ACE only when separate_loop is on (#6043) Doxygen Documentation Deployment #870: Commit d749424 pushed by mohanchen
5m 16s develop
develop
5m 16s
Feature: Make sKG support GPU (#6046) Doxygen Documentation Deployment #869: Commit 6b7796f pushed by mohanchen
3m 1s develop
develop
3m 1s
add LBFGS method (#6005) Doxygen Documentation Deployment #868: Commit 2b23c18 pushed by mohanchen
4m 0s develop
develop
4m 0s
Optimize: Compilation time of vdwd3_autoset_xcparam.cpp (#6042) Doxygen Documentation Deployment #867: Commit eef959d pushed by mohanchen
4m 8s develop
develop
4m 8s
exclude toolchain/install/ in .gitignore after toolchain run (#6033) Doxygen Documentation Deployment #866: Commit 7e4d663 pushed by mohanchen
4m 11s develop
develop
4m 11s
Fix: Angular momentum quantum number check in reading SOC pseudopot f… Doxygen Documentation Deployment #865: Commit 28a3540 pushed by mohanchen
1m 1s develop
develop
1m 1s
Add two LCAO base group GPU version compilation options in toolchain … Doxygen Documentation Deployment #864: Commit 76af832 pushed by mohanchen
3m 55s develop
develop
3m 55s
Update latest Intel oneAPI default compiler for cxx (#6035) Doxygen Documentation Deployment #863: Commit 65171f9 pushed by mohanchen
3m 48s develop
develop
3m 48s
Fix: Enhance the warning message when the XC name cannot be recognize… Doxygen Documentation Deployment #862: Commit fa3b783 pushed by mohanchen
5m 11s develop
develop
5m 11s
Fix: calculate magnetic moments with onsite_radius>0 (#6024) Doxygen Documentation Deployment #861: Commit bc05444 pushed by mohanchen
1m 0s develop
develop
1m 0s
Add genelpa warning if matrix is not positive definite (#6022) Doxygen Documentation Deployment #860: Commit 06df0ee pushed by mohanchen
4m 12s develop
develop
4m 12s
Refactor: math_kernel_op (#6020) Doxygen Documentation Deployment #859: Commit 0c9b227 pushed by mohanchen
1m 35s develop
develop
1m 35s
Feature: Make KG-KSDFT support GPU (#6013) Doxygen Documentation Deployment #858: Commit 8973c25 pushed by mohanchen
4m 18s develop
develop
4m 18s
[Fix] Fix DCU port compilation error (#6017) Doxygen Documentation Deployment #857: Commit 98f7a55 pushed by mohanchen
3m 32s develop
develop
3m 32s
Fix : out_mat_dh will lead to different result with MPI-1core with MP… Doxygen Documentation Deployment #856: Commit 0480f52 pushed by mohanchen
1m 8s develop
develop
1m 8s
fix the format (#6008) Doxygen Documentation Deployment #855: Commit 3d0de86 pushed by mohanchen
4m 7s develop
develop
4m 7s
test: fix Dockerfile.intel (#5999) Doxygen Documentation Deployment #854: Commit 23ee3e1 pushed by mohanchen
6m 57s develop
develop
6m 57s
Test: add test and output for dry run (#6015) Doxygen Documentation Deployment #853: Commit 9c01298 pushed by mohanchen
2m 23s develop
develop
2m 23s
Tests: one integrate test for exx pw, only for verifying whether exx … Doxygen Documentation Deployment #852: Commit 7838569 pushed by mohanchen
5m 59s develop
develop
5m 59s
Tests: Add GPU tests for out_wfc_pw & out_wfc_r (#5989) Doxygen Documentation Deployment #851: Commit 4decdac pushed by mohanchen
54s develop
develop
54s
Toolchain 202501 (#5980) Doxygen Documentation Deployment #850: Commit a295d38 pushed by mohanchen
1m 33s develop
develop
1m 33s
[Refactor] Remove my_math.hpp (#6002) Doxygen Documentation Deployment #849: Commit c93cd1a pushed by mohanchen
2m 49s develop
develop
2m 49s
v3.9.0.2 (#6007) Doxygen Documentation Deployment #848: Commit 0d9f762 pushed by mohanchen
2m 7s develop
develop
2m 7s