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Debug UKS gradient Lint #506: Commit b8bb071 pushed by puzhichen
February 19, 2025 02:50 16s feat/tddft-grad-pzc-only
feat/tddft-grad-pzc-only
February 19, 2025 02:50 16s
Mixed precision for unrolled kernels Lint #505: Commit 257b3be pushed by henryw7
February 19, 2025 01:19 19s mixed_precision
mixed_precision
February 19, 2025 01:19 19s
Merge branch 'master' into feat/add-tddft-test Lint #504: Commit 90e50ee pushed by puzhichen
February 18, 2025 00:47 19s feat/add-tddft-test
feat/add-tddft-test
February 18, 2025 00:47 19s
First round of mixed precision trial Lint #503: Commit 9b01e19 pushed by henryw7
February 17, 2025 23:11 18s mixed_precision
mixed_precision
February 17, 2025 23:11 18s
add the dependence on lindep Lint #502: Commit e430427 pushed by puzhichen
February 14, 2025 06:57 18s feat/add-tddft-test
feat/add-tddft-test
February 14, 2025 06:57 18s
add the lindep in unit tests Lint #501: Commit dc18bd9 pushed by puzhichen
February 14, 2025 05:30 17s fix/lindep_in_tddft_real_eig
fix/lindep_in_tddft_real_eig
February 14, 2025 05:30 17s
Change some codes, add the TDUKS gradients, no tests and needs debuging Lint #500: Commit 6b950cd pushed by puzhichen
February 13, 2025 06:35 59s feat/tddft-grad-pzc-only
feat/tddft-grad-pzc-only
February 13, 2025 06:35 59s
Finish the UHF. Lint #499: Commit 510c23a pushed by puzhichen
February 13, 2025 03:21 20s feat/tddft-grad-pzc-only
feat/tddft-grad-pzc-only
February 13, 2025 03:21 20s
Warp divergent optimization (#324) Lint #498: Commit 3ec4ae6 pushed by henryw7
February 11, 2025 21:11 18s master
master
February 11, 2025 21:11 18s
the lindep parameter is used in the function real_eig Lint #497: Commit 08731c7 pushed by puzhichen
February 11, 2025 01:56 20s fix/lindep_in_tddft_real_eig
fix/lindep_in_tddft_real_eig
February 11, 2025 01:56 20s
Merge branch 'master' into fix/lindep_in_real_eigh_tddft Lint #496: Commit 27838e9 pushed by puzhichen
February 11, 2025 01:51 20s fix/lindep_in_real_eigh_tddft
fix/lindep_in_real_eigh_tddft
February 11, 2025 01:51 20s
Record a trap in current dft 3c driver code Lint #495: Commit 2455e74 pushed by henryw7
February 10, 2025 22:50 15s 3c_warning
3c_warning
February 10, 2025 22:50 15s
finish the X-Y and X+Y parts Lint #494: Commit 574592c pushed by puzhichen
February 7, 2025 08:54 20s feat/tddft-grad-pzc-only
feat/tddft-grad-pzc-only
February 7, 2025 08:54 20s
Update pypi_wheel.yml Lint #493: Commit ee1f2b7 pushed by henryw7
February 5, 2025 22:28 20s master
master
February 5, 2025 22:28 20s
finish the benchmark tests. Lint #492: Commit 1d151e0 pushed by puzhichen
February 5, 2025 01:19 20s feat/add-tddft-test
feat/add-tddft-test
February 5, 2025 01:19 20s
Save GPU memory for PCM analytical hessian (#320) Lint #491: Commit a519ef3 pushed by henryw7
January 30, 2025 21:51 19s master
master
January 30, 2025 21:51 19s
Save GPU memory for PCM analytical hessian Lint #490: Commit dd5060a pushed by henryw7
January 29, 2025 03:27 19s pcm_hessian_memory
pcm_hessian_memory
January 29, 2025 03:27 19s
Analytical PCM 2nd derivative (#302) Lint #489: Commit 62f16a6 pushed by henryw7
January 28, 2025 19:11 22s master
master
January 28, 2025 19:11 22s
Bugfix: turn off nlc in df.hessian (#319) Lint #488: Commit a1de844 pushed by henryw7
January 27, 2025 19:35 20s master
master
January 27, 2025 19:35 20s
Improvement: remove abuse use of einsum, accelerate pcm and int1e 2nd… Lint #487: Commit a55e390 pushed by henryw7
January 27, 2025 19:18 20s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 27, 2025 19:18 20s
Fix the bug that libcusolver.so.11 exist but libcusolver.so does not Lint #486: Commit 445c996 pushed by henryw7
January 24, 2025 06:23 16s so_version
so_version
January 24, 2025 06:23 16s
finish writing the RKS part. Lint #485: Commit ac5d5a3 pushed by puzhichen
January 24, 2025 05:33 19s feat/tddft-grad-pzc-only
feat/tddft-grad-pzc-only
January 24, 2025 05:33 19s
Remove explicit inverse K Lint #484: Commit fc9a413 pushed by henryw7
January 23, 2025 23:52 25s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 23, 2025 23:52 25s
Forgot to change a debug setting off when generating finite differenc… Lint #483: Commit 69b5724 pushed by henryw7
January 23, 2025 23:16 18s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 23, 2025 23:16 18s
Fix tests Lint #482: Commit 831c6a2 pushed by henryw7
January 23, 2025 22:50 23s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 23, 2025 22:50 23s