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mDFTB
CI #2798: Pull request #1325 synchronize by vnquanvuong
August 12, 2024 15:24 24m 23s vnquanvuong:mdftb
August 12, 2024 15:24 24m 23s
Base unit tests on Fortuno
CI #2797: Pull request #1516 synchronize by aradi
August 12, 2024 14:54 26m 5s 10000 aradi:fortuno
August 12, 2024 14:54 26m 5s
Base unit tests on Fortuno
CI #2796: Pull request #1516 synchronize by aradi
August 12, 2024 14:53 22m 40s aradi:fortuno
August 12, 2024 14:53 22m 40s
MODES regression tests
CI #2795: Pull request #1517 opened by vanderhe
August 12, 2024 14:49 21m 45s vanderhe:modesTests
August 12, 2024 14:49 21m 45s
Base unit tests on Fortuno
CI #2794: Pull request #1516 opened by aradi
August 12, 2024 13:53 9m 33s aradi:fortuno
August 12, 2024 13:53 9m 33s
Optional info parameter
CI #2793: Pull request #1515 opened by thomas-niehaus
August 12, 2024 10:05 13m 34s thomas-niehaus:InfoDiagonalizer
August 12, 2024 10:05 13m 34s
Fix Z-vector timer in LR-TD-DFTB module
CI #2792: Pull request #1514 opened by vanderhe
August 12, 2024 09:22 13m 24s vanderhe:fixZVectorTimer
August 12, 2024 09:22 13m 24s
Clean up short-gamma related modules
CI #2791: Pull request #1513 opened by vanderhe
August 12, 2024 07:14 13m 21s vanderhe:cleanupShortY
August 12, 2024 07:14 13m 21s
Pre-pend SK search path in error messages
CI #2790: Pull request #1512 opened by vanderhe
August 9, 2024 10:32 13m 26s vanderhe:skSearchPathErr
August 9, 2024 10:32 13m 26s
Refactor reading routine with potential buffer overflow (#1464)
CI #2789: Commit 9ba54d1 pushed by aradi
August 8, 2024 10:28 18m 32s main
August 8, 2024 10:28 18m 32s
Parallelize (OMP) stress tensor construction (#1510)
CI #2788: Commit 215ba6f pushed by aradi
August 6, 2024 13:16 19m 37s main
August 6, 2024 13:16 19m 37s
Td derived type
CI #2787: Pull request #1511 opened by thomas-niehaus
August 6, 2024 12:29 13m 34s thomas-niehaus:TD-derived-type
August 6, 2024 12:29 13m 34s
Parallelize (OMP) stress tensor construction
CI #2786: Pull request #1510 synchronize by vanderhe
August 6, 2024 11:26 13m 43s vanderhe:ompStress
August 6, 2024 11:26 13m 43s
Clean up forces and stress routines (#1509)
CI #2785: Commit fe3cdda pushed by aradi
August 6, 2024 10:29 13m 37s main
August 6, 2024 10:29 13m 37s
Parallelize (OMP) stress tensor construction
CI #2784: Pull request #1510 opened by vanderhe
August 6, 2024 09:13 18m 57s vanderhe:ompStress
August 6, 2024 09:13 18m 57s
Clean up forces and stress routines
CI #2783: Pull request #1509 opened by vanderhe
August 1, 2024 07:37 13m 52s vanderhe:gradStressCleanup
August 1, 2024 07:37 13m 52s
Simp td mpi
CI #2782: Pull request #1507 opened by thomas-niehaus
July 31, 2024 10:20 13m 43s thomas-niehaus:simp-TD-MPI
July 31, 2024 10:20 13m 43s
Implementation of LC-OC-DFTB
CI #2781: Pull request #1142 synchronize by inseonglee
July 23, 2024 12:03 18m 30s inseonglee:rangeSepOnsCorr
July 23, 2024 12:03 18m 30s
MPI implementation for REKS/SSR calculations
CI #2780: Pull request #1472 synchronize by inseonglee
July 23, 2024 11:43 13m 38s inseonglee:mpiReks
July 23, 2024 11:43 13m 38s
Merge pull request #1500 from vanderhe/hybridTestsCleanup
CI #2777: Commit d59e74e pushed by vanderhe
July 10, 2024 23:15 13m 27s main
July 10, 2024 23:15 13m 27s
Merge pull request #1499 from vanderhe/hfxGradCleanup
CI #2776: Commit 28332a5 pushed by vanderhe
July 10, 2024 23:13 13m 39s main
July 10, 2024 23:13 13m 39s
Clean up hybrid tests
CI #2775: Pull request #1500 opened by vanderhe
July 4, 2024 08:17 13m 50s vanderhe:hybridTestsCleanup
July 4, 2024 08:17 13m 50s
Clean up HFX gradients
CI #2774: Pull request #1499 opened by vanderhe
July 4, 2024 07:17 14m 25s vanderhe:hfxGradCleanup
July 4, 2024 07:17 14m 25s
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