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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
Add tests for int1e 2nd derivative and pcm 2nd derivative Lint #481: Commit d850694 pushed by henryw7
January 23, 2025 20:19 21s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 23, 2025 20:19 21s
PCM Hessian optimize electron hessian, remove nao*nao*ngrids memory r… Lint #480: Commit e003ef5 pushed by henryw7
January 23, 2025 02:02 16s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 23, 2025 02:02 16s
add the small mol data Lint #479: Commit 3795787 pushed by puzhichen
January 23, 2025 01:46 20s feat/add-tddft-test
feat/add-tddft-test
January 23, 2025 01:46 20s
PCM hessian for grad_solver done Lint #478: Commit a9529fe pushed by henryw7
January 22, 2025 00:35 17s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 22, 2025 00:35 17s
begin to wirte rks Lint #477: Commit 36942da pushed by puzhichen
January 21, 2025 01:36 16s feat/tddft-grad-pzc-only
feat/tddft-grad-pzc-only
January 21, 2025 01:36 16s
remove unused-codes Lint #476: Commit d103d35 pushed by puzhichen
January 20, 2025 09:42 19s feat/tddft-grad-only
feat/tddft-grad-only
January 20, 2025 09:42 19s
change some codes Lint #475: Commit 9a458b5 pushed by puzhichen
January 20, 2025 09:17 19s feat/tddft-grad
feat/tddft-grad
January 20, 2025 09:17 19s
change codes according to review comments Lint #474: Commit 9dadcd9 pushed by puzhichen
January 20, 2025 04:53 8m 58s feat/gpudavidson
feat/gpudavidson
January 20, 2025 04:53 8m 58s
add the import _response_functions Lint #473: Commit fcdf0de pushed by puzhichen
January 17, 2025 06:53 19s feat/gpudavidson
feat/gpudavidson
January 17, 2025 06:53 19s
change the threshold in precond Lint #472: Commit ce51c03 pushed by puzhichen
January 17, 2025 02:28 19s feat/gpudavidson
feat/gpudavidson
January 17, 2025 02:28 19s
Merge branch 'master' into feat/gpudavidson Lint #471: Commit 86283f6 pushed by puzhichen
January 17, 2025 02:22 17s feat/gpudavidson
feat/gpudavidson
January 17, 2025 02:22 17s
PCM hessian d2D d2S working Lint #470: Commit e204a0b pushed by henryw7
January 16, 2025 22:39 18s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 16, 2025 22:39 18s
after review the codes Lint #469: Commit f107a07 pushed by puzhichen
January 16, 2025 02:31 16s feat/gpudavidson
feat/gpudavidson
January 16, 2025 02:31 16s
remove some comments and unused codes Lint #468: Commit d294de2 pushed by puzhichen
January 16, 2025 02:21 19s feat/gpudavidson
feat/gpudavidson
January 16, 2025 02:21 19s
Finish debugging and unit tests. Lint #467: Commit fbe0cdd pushed by puzhichen
January 15, 2025 06:50 17s feat/gpudavidson
feat/gpudavidson
January 15, 2025 06:50 17s
PCM S diagonal second derivative working Lint #466: Commit e87bd0f pushed by henryw7
January 15, 2025 00:35 18s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 15, 2025 00:35 18s
Second derivative of Fi and Ai working Lint #465: Commit e355190 pushed by henryw7
January 14, 2025 22:55 22s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 14, 2025 22:55 22s
Change all K^-1 algorithm from LU solve to SVD pseudo inverse Lint #464: Commit e961e82 pushed by henryw7
January 10, 2025 22:20 20s pcm_pseudo_inverse
pcm_pseudo_inverse
January 10, 2025 22:20 20s
Analytical qv and nuc terms gives correct result Lint #463: Commit 03b5e4e pushed by henryw7
January 10, 2025 00:16 20s pcm_hessian_2nd_term
pcm_hessian_2nd_term
January 10, 2025 00:16 20s
Analytical form for nuclei hessian for PCM Lint #462: Commit a391a34 pushed by henryw7
January 9, 2025 23:59 16s pcm_hessian_2nd
pcm_hessian_2nd
January 9, 2025 23:59 16s