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Merge branch 'master' into refactor_class
Lint #319: Commit d9ae6c4 pushed by wxj6000
March 31, 2024 05:00 16s refactor_class
March 31, 2024 05:00 16s
move high-angular momentum to CPU
Lint #318: Commit 380bf9e pushed by wxj6000
March 31, 2024 04:55 16s high-angular
March 31, 2024 04:55 16s
fixed a bug in unit test
Lint #317: Commit a7512a1 pushed by wxj6000
March 30, 2024 03:47 13s refactor_class
March 30, 2024 03:47 13s
linter
Lint #316: Commit 52e60bd pushed by wxj6000
March 29, 2024 20:58 14s refactor_class
March 29, 2024 20:58 14s
use smaller molecule to test int3c2e
Lint #315: Commit 12eeefe pushed by wxj6000
March 29, 2024 20:53 19s transition_metal
March 29, 2024 20:53 19s
reduce class inheritance from pyscf
Lint #314: Commit a28f6ae pushed by wxj6000
March 29, 2024 20:48 14s refactor_class
March 29, 2024 20:48 14s
fixed an issue in unit test
Lint #313: Commit c646f14 pushed by wxj6000
March 27, 2024 18:17 19s transition_metal
March 27, 2024 18:17 19s
reverse grad/rhf
Lint #312: Commit d6e9a94 pushed by wxj6000
March 27, 2024 17:03 16s transition_metal
March 27, 2024 17:03 16s
support third-row transition metals
Lint #311: Commit ff3f414 pushed by wxj6000
March 27, 2024 16:54 15s transition_metal
March 27, 2024 16:54 15s
loose cupy requirements
Lint #310: Commit 4ce660e pushed by wxj6000
March 23, 2024 17:22 15s cupy_dependency
March 23, 2024 17:22 15s
Update README.md
Lint #309: Commit ce72e5e pushed by wxj6000
March 23, 2024 17:14 14s master
March 23, 2024 17:14 14s
bump rys roots to 9
Lint #308: Commit cb51521 pushed by wxj6000
March 17, 2024 19:53 20s root_9
March 17, 2024 19:53 20s
DFMP2 (#123)
Lint #307: Commit 9773b31 pushed by wxj6000
March 16, 2024 16:02 14s master
March 16, 2024 16:02 14s
remove todo comments
Lint #306: Commit adec3e4 pushed by wxj6000
March 16, 2024 06:20 21s dft_grouped_gemm
March 16, 2024 06:20 21s
1e9 -> 1024**3
Lint #305: Commit 45418c6 pushed by wxj6000
March 16, 2024 05:50 15s dft_grouped_gemm
March 16, 2024 05:50 15s
nr_rks_group -> nr_rks
Lint #304: Commit deb1ab4 pushed by wxj6000
March 16, 2024 05:48 15s dft_grouped_gemm
March 16, 2024 05:48 15s
uncomment examples
Lint #303: Commit 5d72d45 pushed by wxj6000
March 16, 2024 05:47 18s dft_grouped_gemm
March 16, 2024 05:47 18s
fixed an issue in cmake
Lint #302: Commit d69f779 pushed by wxj6000
March 14, 2024 22:28 17s dft_grouped_gemm
March 14, 2024 22:28 17s
update cutlass repo
Lint #301: Commit d33bf6e pushed by wxj6000
March 14, 2024 22:19 15s dft_grouped_gemm
March 14, 2024 22:19 15s
linter
Lint #300: Commit cb4ea24 pushed by wxj6000
March 14, 2024 21:26 15s dft_grouped_gemm
March 14, 2024 21:26 15s
added dfmp2
Lint #299: Commit f63ac44 pushed by wxj6000
March 14, 2024 21:08 19s df_mp2
March 14, 2024 21:08 19s
fixed a bug in add_sparse
Lint #298: Commit c30f545 pushed by wxj6000
March 13, 2024 17:22 19s master
March 13, 2024 17:22 19s
Merge branch 'master' into dft_grouped_gemm
Lint #297: Commit c47baf0 pushed by wxj6000
March 13, 2024 17:10 16s dft_grouped_gemm
March 13, 2024 17:10 16s
Add some comments to unit tests.
Lint #296: Commit 63f20f2 pushed by puzhichen
March 12, 2024 02:32 17s properties_dev
March 12, 2024 02:32 17s
Clean the NMR codes and add a unittest.
Lint #295: Commit a08f164 pushed by puzhichen
March 12, 2024 02:22 15s properties_dev
March 12, 2024 02:22 15s