AbdAmmar
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4e9143133a
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added 1e-noL with CUDA
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2024-08-10 18:13:23 +02:00 |
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Abdallah Ammar
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2b24424891
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2e-noL with CUDA
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2024-08-08 23:41:03 +02:00 |
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AbdAmmar
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67a2f0eb0c
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openmp issue solved
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2024-08-05 14:49:35 +02:00 |
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Abdallah Ammar
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dee440747f
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devide BH jast coeff by 2 direct
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2024-08-04 11:58:19 +02:00 |
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Abdallah Ammar
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c4b19af2ec
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cuda tc-integrals tested
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2024-08-03 18:08:23 +02:00 |
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Abdallah Ammar
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8e0fe19ab4
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fixed path for install
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2024-08-03 12:32:35 +02:00 |
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Abdallah Ammar
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4bd8b710a5
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CuTC integrals: OK
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2024-08-02 21:16:27 +02:00 |
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Abdallah Ammar
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76ec02812e
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fix nb of blocks autom
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2024-08-02 12:19:05 +02:00 |
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Abdallah Ammar
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f43ee8cf61
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int2_grad1_u12_ao is computed correctly on CUDA
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2024-08-01 18:29:50 +02:00 |
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Abdallah Ammar
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b6b0ed5d22
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WORKING ON DEBUG CUDA-INTEG
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2024-08-01 10:05:47 +02:00 |
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Abdallah Ammar
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eb236e0112
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Merge branch 'dev-stable' of https://github.com/AbdAmmar/qp2 into dev-stable
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2024-07-29 17:22:53 +02:00 |
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AbdAmmar
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4d79bd135f
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Merge pull request #39 from QuantumPackage/dev-stable
Dev stable
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2024-07-29 17:20:48 +02:00 |
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4a9a11c630
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GPU acceleration compute_tc_int
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2024-07-12 17:32:41 +02:00 |
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Abdallah Ammar
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73066b4ac5
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issue with linking with CUDA
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2024-06-29 01:16:48 +02:00 |
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Abdallah Ammar
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461e2164f8
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few modif in TC int
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2024-06-28 15:04:34 +02:00 |
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a9d2f0e188
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Working on TC ints. Not well tested
continuous-integration/drone/push Build is failing
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2024-06-26 17:55:56 +02:00 |
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Abdallah Ammar
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1d0bac25d0
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v0
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2024-06-26 15:31:44 +02:00 |
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Abdallah Ammar
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646607ada4
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1st commit
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2024-06-26 11:15:30 +02:00 |
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