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87f7ec0456
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Merge branch 'dev-stable' into dev-stable-tc-scf
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2023-06-08 17:36:06 +02:00 |
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b03709020d
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5idx arrays need O(N3) temp arrays
continuous-integration/drone/push Build is failing
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2023-06-04 16:45:38 +02:00 |
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Abdallah Ammar
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b984d7a1f4
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minor modif
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2023-06-04 15:27:07 +02:00 |
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Abdallah Ammar
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501b9d6487
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minor modifs
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2023-06-04 09:58:29 +02:00 |
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Abdallah Ammar
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a791a28523
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working on memory footprint
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2023-06-04 09:19:34 +02:00 |
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Abdallah Ammar
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072bea8041
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Improve 4idx
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2023-06-03 22:12:30 +02:00 |
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AbdAmmar
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9500fb03a9
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Merge pull request #18 from QuantumPackage/dev-stable
Improve 5idx
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2023-06-02 20:50:44 +02:00 |
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4cc8dae420
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Improve 5idx
continuous-integration/drone/push Build is failing
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2023-06-02 20:32:31 +02:00 |
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AbdAmmar
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bf1ee8f8fa
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Merge branch 'dev-stable-tc-scf' into dev-stable-tc-scf
continuous-integration/drone/push Build is failing
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2023-06-02 20:28:12 +02:00 |
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Abdallah Ammar
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6d01eb42ca
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print mem details
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2023-06-02 20:16:39 +02:00 |
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896ac96e7e
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Reduced memory in 5idx
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2023-06-02 11:40:21 +02:00 |
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b2c005eccb
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Finished optimizing 5idx
continuous-integration/drone/push Build is failing
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2023-06-02 11:08:30 +02:00 |
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00bd8e2fcc
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Optimized cyclic 5idx
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2023-06-02 10:55:51 +02:00 |
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c4612318ae
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Optimized direct 5idx
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2023-06-02 09:11:32 +02:00 |
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fb5300a8e5
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Preparing for optimization of 5idx in TC
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2023-06-02 08:51:04 +02:00 |
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b9c1833896
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Optimized three_e_5_idx_exch12_bi_ort
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2023-06-02 00:33:37 +02:00 |
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6971bf186c
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Accelerated multiply_poly
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2023-06-01 21:42:02 +02:00 |
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Abdallah Ammar
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5ab6a1d7fb
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few modifs
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2023-06-01 19:59:25 +02:00 |
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Abdallah Ammar
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402a6e8988
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added jast_type 0
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2023-05-07 12:44:59 +02:00 |
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AbdAmmar
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207e52d220
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fixed bug in TC integrals
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2023-04-26 08:52:06 +02:00 |
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Abdallah Ammar
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333d8a551c
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v0 tc integ numericall with DGEMM
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2023-04-21 20:50:00 +02:00 |
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eginer
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bcaca2bab1
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Merge branch 'dev-stable-tc-scf' of https://github.com/QuantumPackage/qp2 into dev-stable-tc-scf
continuous-integration/drone/push Build was killed
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2023-03-29 15:48:11 +02:00 |
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eginer
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6d7d7ccfb4
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set the threshold_cycle to 1e-10 by default
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2023-03-29 15:47:59 +02:00 |
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7e617bee13
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COLLAPSE
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2023-03-28 13:24:28 +02:00 |
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Abdallah Ammar
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4a23b63a42
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Merge branch 'dev-stable' into dev-stable-tc-scf
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2023-03-04 14:33:43 +01:00 |
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Abdallah Ammar
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6e7ca02ed1
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bi_ort_ints: combined
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2023-03-04 02:31:04 +01:00 |
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eginer
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b2e43b7995
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minor changes in documentations of mo_bi_orth_bipole
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2023-02-27 11:44:35 +01:00 |
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eginer
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2ec8b1f34c
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added missing bi_ort_ints
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2023-02-07 13:27:19 +01:00 |
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