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LRCC2 seems to work for water dimer, but singles are very slow
Linux/MacOS Build #1973: Commit 84c23ef pushed by fbischoff
November 5, 2024 08:15 48m 0s pr-fix-cc2
November 5, 2024 08:15 48m 0s
LRCC2 works for He, singles also for water dimer, but a tensor except…
Linux/MacOS Build #1972: Commit df7d831 pushed by fbischoff
November 1, 2024 12:04 48m 3s pr-fix-cc2
November 1, 2024 12:04 48m 3s
print memory usage using getrusage
Linux/MacOS Build #1971: Commit 526696e pushed by fbischoff
October 30, 2024 16:55 48m 13s pr-fix-cc2
October 30, 2024 16:55 48m 13s
gs cc2 works with macrotasks and the water dimer, lrcc2 to go
Linux/MacOS Build #1970: Commit a480733 pushed by fbischoff
October 30, 2024 08:01 1h 3m 39s pr-fix-cc2
October 30, 2024 08:01 1h 3m 39s
Json write coordinates in 1,2,3 Dimensions
Linux/MacOS Build #1969: Commit 749d388 pushed by ahurta92
October 28, 2024 17:17 53m 0s pr_writecoeff
October 28, 2024 17:17 53m 0s
Merge pull request #557 from EricaCMitchell/pr-lapack_hotfix
Linux/MacOS Build #1968: Commit 67ea7b5 pushed by hborchert
October 28, 2024 14:53 37m 20s new-exchange
October 28, 2024 14:53 37m 20s
pages build and deployment
pages-build-deployment #233: by github-pages bot
October 26, 2024 16:29 1m 24s gh-pages
October 26, 2024 16:29 1m 24s
Merge pull request #557 from EricaCMitchell/pr-lapack_hotfix
publish-doxygen #234: Commit 67ea7b5 pushed by evaleev
October 26, 2024 16:23 5m 43s master
October 26, 2024 16:23 5m 43s
Merge pull request #557 from EricaCMitchell/pr-lapack_hotfix
Linux/MacOS Build #1967: Commit 67ea7b5 pushed by evaleev
October 26, 2024 16:23 36m 28s master
October 26, 2024 16:23 36m 28s
Hotfix for MADNESS_LINALG_USE_LAPACKE = true
Linux/MacOS Build #1966: Pull request #557 opened by EricaCMitchell
October 24, 2024 21:11 2m 47s EricaCMitchell:pr-lapack_hotfix
October 24, 2024 21:11 2m 47s
making cc2 singles more efficient by making potential storage work ag…
Linux/MacOS Build #1965: Commit 734cedb pushed by fbischoff
October 24, 2024 13:21 47m 56s pr-fix-cc2
October 24, 2024 13:21 47m 56s
pages build and deployment
pages-build-deployment #232: by github-pages bot
October 24, 2024 02:08 1m 27s gh-pages
October 24, 2024 02:08 1m 27s
Merge pull request #556 from EricaCMitchell/pr-lapack_refactor
Linux/MacOS Build #1964: Commit b82d6c9 pushed by evaleev
October 24, 2024 02:02 48m 29s master
October 24, 2024 02:02 48m 29s
Merge pull request #556 from EricaCMitchell/pr-lapack_refactor
publish-doxygen #233: Commit b82d6c9 pushed by evaleev
October 24, 2024 02:02 5m 41s master
October 24, 2024 02:02 5m 41s
Reorganize lapack and add more routine types
Linux/MacOS Build #1963: Pull request #556 opened by EricaCMitchell
October 23, 2024 18:58 49m 8s EricaCMitchell:pr-lapack_refactor
October 23, 2024 18:58 49m 8s
Generalize template for orthonormalize
Linux/MacOS Build #1962: Pull request #555 synchronize by EricaCMitchell
October 22, 2024 20:03 38m 6s EricaCMitchell:pr-orthonormalize_cd
October 22, 2024 20:03 38m 6s
Generalize template for orthonormalize
Linux/MacOS Build #1961: Pull request #555 synchronize by EricaCMitchell
October 22, 2024 19:27 49m 2s EricaCMitchell:pr-orthonormalize_cd
October 22, 2024 19:27 49m 2s
Generalize template for orthonormalize
Linux/MacOS Build #1960: Pull request #555 opened by EricaCMitchell
October 22, 2024 18:32 48m 33s EricaCMitchell:pr-orthonormalize_cd
October 22, 2024 18:32 48m 33s
reconstruct coupling vector in mp2
Linux/MacOS Build #1958: Commit fa26006 pushed by fbischoff
October 17, 2024 13:35 37m 51s pr-fix-cc2
October 17, 2024 13:35 37m 51s
pages build and deployment
pages-build-deployment #231: by github-pages bot
October 16, 2024 11:31 1m 40s gh-pages
October 16, 2024 11:31 1m 40s
Merge pull request #554 from m-a-d-n-e-s-s/pr-add-mpi-test
Linux/MacOS Build #1957: Commit 6df817e pushed by fbischoff
October 16, 2024 11:25 49m 24s master
October 16, 2024 11:25 49m 24s
Merge pull request #554 from m-a-d-n-e-s-s/pr-add-mpi-test
publish-doxygen #232: Commit 6df817e pushed by fbischoff
October 16, 2024 11:25 5m 56s master
October 16, 2024 11:25 5m 56s
added test running moldft with 2 mpi processes
Linux/MacOS Build #1956: Pull request #554 opened by fbischoff
October 16, 2024 11:25 49m 30s pr-add-mpi-test
October 16, 2024 11:25 49m 30s