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Refactor: SphericalBesselTransformer cleanup (#4152)
Container #1655: Commit a8e0d66 pushed by mohanchen
May 15, 2024 08:16 1h 28m 21s develop
May 15, 2024 08:16 1h 28m 21s
Feature: Add PEXSI Support for Gamma Only LCAO Calculation (#3561)
Container #1654: Commit 6138a50 pushed by mohanchen
May 15, 2024 08:09 38m 6s develop
May 15, 2024 08:09 38m 6s
fix intel compiler warnings (#4166)
Container #1653: Commit c4db904 pushed by WHUweiqingzhou
May 14, 2024 07:24 1h 10m 25s develop
May 14, 2024 07:24 1h 10m 25s
Update ESolver (#4157)
Container #1652: Commit c56f277 pushed by Qianruipku
May 14, 2024 01:49 35m 33s develop
May 14, 2024 01:49 35m 33s
reduce peak device memory usage of psi's constructor (#4154)
Container #1651: Commit 9abeccc pushed by dyzheng
May 13, 2024 04:54 2h 12m 26s develop
May 13, 2024 04:54 2h 12m 26s
Feature: enable uspp in upf100 format (#4151)
Container #1650: Commit b7e91aa pushed by mohanchen
May 12, 2024 07:44 1h 16m 27s develop
May 12, 2024 07:44 1h 16m 27s
Fix wrong output of S(k) in TDDFT calculation (#4148)
Container #1649: Commit fa7d4a4 pushed by mohanchen
May 12, 2024 07:43 1h 15m 38s develop
May 12, 2024 07:43 1h 15m 38s
Feature: compute module_gint by GPU (#4109)
Container #1648: Commit a2798b2 pushed by mohanchen
May 12, 2024 07:37 1h 4m 17s develop
May 12, 2024 07:37 1h 4m 17s
version update: v3.6.3 (#4142)
Container #1647: Commit 922db46 pushed by jinzx10
May 11, 2024 03:35 7h 36m 39s v3.6.3
May 11, 2024 03:35 7h 36m 39s
version update: v3.6.3 (#4142)
Container #1646: Commit 922db46 pushed by jinzx10
May 11, 2024 03:15 3h 37m 56s develop
May 11, 2024 03:15 3h 37m 56s
Docs: delay release of deltaspin due to bugs (#4146)
Container #1645: Commit 4066253 pushed by WHUweiqingzhou
May 11, 2024 02:29 31m 30s develop
May 11, 2024 02:29 31m 30s
Improve output of H and S matrices: output matrices when the self-con…
Container #1644: Commit 7fdd771 pushed by mohanchen
May 10, 2024 14:35 2h 31m 30s develop
May 10, 2024 14:35 2h 31m 30s
Fix: No warning is given if KPT is ill set (#4134)
Container #1643: Commit 98f8ae9 pushed by WHUweiqingzhou
May 10, 2024 08:02 1h 52m 31s develop
May 10, 2024 08:02 1h 52m 31s
Docs: remove extra ``` (#4133)
Container #1642: Commit 2f1e062 pushed by dyzheng
May 10, 2024 08:01 1h 40m 25s develop
May 10, 2024 08:01 1h 40m 25s
Fix: fix the incorrect argument order in Autotest.sh (#4118)
Container #1641: Commit 9c5eb85 pushed by WHUweiqingzhou
May 8, 2024 06:00 1h 29m 51s develop
May 8, 2024 06:00 1h 29m 51s
Update band.py (#4116)
Container #1640: Commit 3344e50 pushed by WHUweiqingzhou
May 8, 2024 03:36 54m 32s develop
May 8, 2024 03:36 54m 32s
May 8, 2024 01:48 50m 6s
fix: pin the version of intel mpi to 2021.11 (#4105)
Container #1638: Commit d196813 pushed by pxlxingliang
May 7, 2024 05:12 2h 28m 32s develop
May 7, 2024 05:12 2h 28m 32s
Fix: solve the convergence problem of E value in dav_subspace metho…
Container #1637: Commit 4385149 pushed by mohanchen
May 7, 2024 04:00 1h 51m 58s develop
May 7, 2024 04:00 1h 51m 58s
add device error check for device::get_device_num function (#4106)
Container #1636: Commit d0f69c2 pushed by haozhihan
May 7, 2024 03:24 31m 50s develop
May 7, 2024 03:24 31m 50s
add some hint about error (#4100)
Container #1635: Commit 5341205 pushed by WHUweiqingzhou
May 6, 2024 08:23 1h 7m 34s develop
May 6, 2024 08:23 1h 7m 34s
increase the time limit of CI test (#4098)
Container #1634: Commit 6604653 pushed by WHUweiqingzhou
May 6, 2024 07:11 2h 17m 23s develop
May 6, 2024 07:11 2h 17m 23s
fix dcu cmake compilation error (#4097)
Container #1633: Commit ceed2ec pushed by WHUweiqingzhou
May 6, 2024 04:13 1h 29m 28s develop
May 6, 2024 04:13 1h 29m 28s
CI: modify CUDA test (#4083)
Container #1632: Commit 0405bfd pushed by mohanchen
May 6, 2024 03:49 1h 36m 47s develop
May 6, 2024 03:49 1h 36m 47s
Refactor: optimized cubic spline (#4081)
Container #1631: Commit 48f2b5d pushed by mohanchen
May 5, 2024 08:28 10h 2m 50s develop
May 5, 2024 08:28 10h 2m 50s
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