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Update pyproject.toml Auto test #116: Commit b3958f5 pushed by ahxbcn
1m 26s develop
develop
1m 26s
Use empty atom for defect supercell structure to account for BSSE Auto test #115: Commit 9f25c10 pushed by ahxbcn
1m 5s develop
develop
1m 5s
Remove explicit nspin=2 setting for magnetic materials Auto test #114: Commit 6919584 pushed by ahxbcn
1m 1s develop
develop
1m 1s
Vacancy formation energy tool Auto test #113: Commit 84a0153 pushed by ahxbcn
1m 0s develop
develop
1m 0s
Minor fixes Auto test #112: Commit 1f3ef05 pushed by ahxbcn
1m 2s develop
develop
1m 2s
Remove redundant dependency on dpdata in abacus_cal_elastic Auto test #111: Commit 498c16b pushed by ahxbcn
54s develop
develop
54s
Fix Auto test #110: Commit 31ebc44 pushed by ahxbcn
1m 8s develop
develop
1m 8s
Fix Auto test #109: Commit 1aaa646 pushed by ahxbcn
1m 2s develop
develop
1m 2s
Abandon dependence on ASE-ABACUS to run ABACUS in abacus_vibration_an… Auto test #108: Commit 43164a3 pushed by ahxbcn
53s develop
develop
53s
Change some default values in tool functions Auto test #107: Commit cf55e64 pushed by ahxbcn
1m 1s develop
develop
1m 1s
Update to v0.2.1 Auto test #106: Commit 6be3984 pushed by ahxbcn
54s develop
develop
54s
Update run_abacus_calculation to return final STRU if relax calculati… Auto test #105: Commit b29cc33 pushed by ahxbcn
1m 1s develop
develop
1m 1s
Update abacus_dos_run and abacus_run_md Auto test #104: Commit 5e6b8aa pushed by ahxbcn
1m 4s develop
develop
1m 4s
Modify abacus_eos to avoid direct calling other tool functions Auto test #103: Commit 7f47b41 pushed by ahxbcn
1m 11s develop
develop
1m 11s
Update README Auto test #102: Commit 5ca2b71 pushed by ahxbcn
56s develop
develop
56s
Update run_abacus_calculation Auto test #101: Commit 6ddbc8f pushed by ahxbcn
1m 4s develop
develop
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Add command to run ABACUS using OpenMP for hybrid functionals in wrap… Auto test #100: Commit 9f6921f pushed by ahxbcn
56s develop
develop
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Give direct definition to constants Auto test #99: Commit 5098ac2 pushed by ahxbcn
59s develop
develop
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Add force to do SCF in property_calculation_scf and force to do scf i… Auto test #98: Commit de859b7 pushed by ahxbcn
1m 4s develop
develop
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Update template agent.py Auto test #97: Commit 3652619 pushed by ahxbcn
1m 0s develop
develop
1m 0s
Add select dft functional in wrapper function run_abacus_calculation Auto test #96: Commit 281bf11 pushed by ahxbcn
1m 1s develop
develop
1m 1s
Update uv.lock Auto test #95: Commit a03c050 pushed by ahxbcn
1m 5s develop
develop
1m 5s
Fix unittest Auto test #94: Commit f47a17f pushed by ahxbcn
56s develop
develop
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Wrapper function to calculate various properties Auto test #93: Commit 0ba2f31 pushed by ahxbcn
57s develop
develop
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Merge branch 'deepmodeling:develop' into develop Auto test #92: Commit d6f50f6 pushed by ahxbcn
57s develop
develop
57s