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PCM hessian d2D d2S working
Lint #470: Commit e204a0b pushed by henryw7
January 16, 2025 22:39 18s pcm_hessian_2nd_term
January 16, 2025 22:39 18s
nightly build
nightly build #267: Scheduled
January 16, 2025 03:01 1d 10h 9m 9s master
January 16, 2025 03:01 1d 10h 9m 9s
after review the codes
Lint #469: Commit f107a07 pushed by puzhichen
January 16, 2025 02:31 16s 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
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
January 15, 2025 06:50 17s
nightly build
nightly build #266: Scheduled
January 15, 2025 03:01 1d 10h 9m 18s master
January 15, 2025 03:01 1d 10h 9m 18s
PCM S diagonal second derivative working
Lint #466: Commit e87bd0f pushed by henryw7
January 15, 2025 00:35 18s 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
January 14, 2025 22:55 22s
nightly build
nightly build #265: Scheduled
January 14, 2025 03:00 1d 10h 10m 8s master
January 14, 2025 03:00 1d 10h 10m 8s
nightly build
nightly build #264: Scheduled
January 13, 2025 03:08 1d 10h 2m 22s master
January 13, 2025 03:08 1d 10h 2m 22s
nightly build
nightly build #263: Scheduled
January 12, 2025 03:09 1d 10h 1m 29s master
January 12, 2025 03:09 1d 10h 1m 29s
nightly build
nightly build #262: Scheduled
January 11, 2025 03:04 1d 10h 5m 54s master
January 11, 2025 03:04 1d 10h 5m 54s
nightly build
nightly build #261: Scheduled
January 10, 2025 03:06 1d 10h 4m 12s master
January 10, 2025 03:06 1d 10h 4m 12s
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
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
January 9, 2025 23:59 16s
January 9, 2025 23:51 16s
Analytical PCM righthand side of CPHF, analytic derivative of V_ia(q)…
self hosted CI #69: Commit 9b694fa pushed by henryw7
January 9, 2025 23:51 1d 13h 18m 47s master
January 9, 2025 23:51 1d 13h 18m 47s
nightly build
nightly build #260: Scheduled
January 9, 2025 03:16 1d 9h 53m 58s master
January 9, 2025 03:16 1d 9h 53m 58s
analytical qv terms gives correct result
Lint #460: Commit b10be82 pushed by henryw7
January 8, 2025 22:37 23s pcm_hessian_2nd
January 8, 2025 22:37 23s
Reorganize code for 2nd derivative term
Lint #459: Commit 824c37a pushed by henryw7
January 8, 2025 22:34 20s pcm_hessian
January 8, 2025 22:34 20s
nightly build
nightly build #259: Scheduled
January 8, 2025 03:04 1d 10h 6m 27s master
January 8, 2025 03:04 1d 10h 6m 27s
Remove abuse use of cp.einsum and cp.zeros
Lint #458: Commit 0dbb558 pushed by henryw7
January 7, 2025 21:28 17s pcm_hessian
January 7, 2025 21:28 17s
nightly build
nightly build #258: Scheduled
January 7, 2025 03:05 1d 10h 4m 41s master
January 7, 2025 03:05 1d 10h 4m 41s
Remove the numerical implementation of dVia/dx
Lint #457: Commit 9170172 pushed by henryw7
January 7, 2025 00:53 25s pcm_hessian
January 7, 2025 00:53 25s