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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
Analytical PCM righthand side of CPHF, analytic derivative of V_ia(q)… Lint #461: Commit 9b694fa pushed by henryw7
January 9, 2025 23:51 16s master
master
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
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
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
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
pcm_hessian
January 8, 2025 22:34 20s
nightly build nightly build #259: Scheduled
January 8, 2025 03:04 1d 10h 6m 27s master
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
pcm_hessian
January 7, 2025 21:28 17s
nightly build nightly build #258: Scheduled
January 7, 2025 03:05 1d 10h 4m 41s master
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
pcm_hessian
January 7, 2025 00:53 25s
Remove natm * 3 * nao * nao memory bottleneck, now the bottleneck is … Lint #456: Commit ad0e46b pushed by henryw7
January 7, 2025 00:34 15s pcm_hessian
pcm_hessian
January 7, 2025 00:34 15s
Fix linter error Lint #455: Commit a2657cc pushed by henryw7
January 6, 2025 22:18 27s pcm_hessian
pcm_hessian
January 6, 2025 22:18 27s
nightly build nightly build #257: Scheduled
January 6, 2025 03:07 1d 10h 3m 23s master
master
January 6, 2025 03:07 1d 10h 3m 23s
nightly build nightly build #256: Scheduled
January 5, 2025 03:07 1d 10h 3m 3s master
master
January 5, 2025 03:07 1d 10h 3m 3s
nightly build nightly build #255: Scheduled
January 4, 2025 03:03 1d 10h 7m 33s master
master
January 4, 2025 03:03 1d 10h 7m 33s
Small mistake Lint #454: Commit 19acf4d pushed by henryw7
January 3, 2025 04:12 22m 29s pcm_hessian
pcm_hessian
January 3, 2025 04:12 22m 29s
SSVPE is different from ICEPCM without contraction Lint #453: Commit 62e6a42 pushed by henryw7
January 3, 2025 04:10 24m 33s pcm_hessian
pcm_hessian
January 3, 2025 04:10 24m 33s
nightly build nightly build #254: Scheduled
January 3, 2025 03:04 1d 10h 6m 2s master
master
January 3, 2025 03:04 1d 10h 6m 2s
dVia/dx works for IEFPCM Lint #452: Commit 2c29c23 pushed by henryw7
January 3, 2025 01:32 17s pcm_hessian
pcm_hessian
January 3, 2025 01:32 17s
Add pickle serialization (#294) Lint #451: Commit 177fb05 pushed by henryw7
January 2, 2025 21:14 17s master
master
January 2, 2025 21:14 17s
Add pickle serialization (#294) self hosted CI #68: Commit 177fb05 pushed by henryw7
January 2, 2025 21:14 1d 2h 9m 30s master
master
January 2, 2025 21:14 1d 2h 9m 30s
C-PCM righthand side of CPHF, analytic derivative of V_munu(q), trash… Lint #450: Commit 0a38f40 pushed by henryw7
January 2, 2025 21:13 20s pcm_hessian
pcm_hessian
January 2, 2025 21:13 20s
C-PCM righthand side of CPHF, analytic derivative of V_munu(q), trash… self hosted CI #67: Commit 0a38f40 pushed by henryw7
January 2, 2025 21:10 1d 2h 13m 43s master
master
January 2, 2025 21:10 1d 2h 13m 43s
C-PCM righthand side of CPHF, analytic derivative of V_munu(q), trash… Lint #449: Commit 0a38f40 pushed by henryw7
January 2, 2025 21:10 18s master
master
January 2, 2025 21:10 18s
nightly build nightly build #253: Scheduled
January 2, 2025 03:03 1d 10h 7m 17s master
master
January 2, 2025 03:03 1d 10h 7m 17s