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rename nr_rks to nr_rks_group
Lint #244: Commit 07784f3 pushed by wxj6000
February 23, 2024 03:00 15s dft_grouped_gemm
February 23, 2024 03:00 15s
m06 -> tpss
Lint #243: Commit c0afba4 pushed by wxj6000
February 22, 2024 22:16 17s uks_dev
February 22, 2024 22:16 17s
merged master
Lint #242: Commit ab3557c pushed by wxj6000
February 22, 2024 21:20 16s uks_dev
February 22, 2024 21:20 16s
slightly improved grad
Lint #241: Commit 69c7c61 pushed by wxj6000
February 22, 2024 17:30 19s improve_grad
February 22, 2024 17:30 19s
dft grouped gemm
Lint #240: Pull request #3 synchronize by Miroier
February 22, 2024 09:31 17s dft_grouped_gemm
February 22, 2024 09:31 17s
fix flake CI
Lint #239: Commit b2a764a pushed by Miroier
February 22, 2024 09:31 19s dft_grouped_gemm
February 22, 2024 09:31 19s
dft grouped gemm
Lint #238: Pull request #3 synchronize by Miroier
February 22, 2024 09:27 18s dft_grouped_gemm
February 22, 2024 09:27 18s
add grouped gemm in numint.py
Lint #237: Commit aeefa75 pushed by Miroier
February 22, 2024 09:27 15s dft_grouped_gemm
February 22, 2024 09:27 15s
Fix some small typos.
Lint #236: Commit 23af7b7 pushed by puzhichen
February 22, 2024 08:41 17s uks_dev
February 22, 2024 08:41 17s
Finish write the gradient part.
Lint #235: Commit 899ae55 pushed by puzhichen
February 22, 2024 08:37 19s uks_dev
February 22, 2024 08:37 19s
dispersion correction for RHF and UHF (#111)
Lint #234: Commit ee8c5fb pushed by wenyan4work
February 21, 2024 02:35 15s master
February 21, 2024 02:35 15s
cupy.ndarray -> scalar
Lint #233: Commit dadb88d pushed by wxj6000
February 20, 2024 19:55 19s hf-dispersion
February 20, 2024 19:55 19s
dft grouped gemm
Lint #232: Pull request #3 synchronize by wxj6000
February 20, 2024 03:36 15s dft_grouped_gemm
February 20, 2024 03:36 15s
fixed a bug in block_loop
Lint #231: Commit effa6ee pushed by wxj6000
February 20, 2024 03:36 17s dft_grouped_gemm
February 20, 2024 03:36 17s
send energy to cpu
Lint #230: Commit da529b0 pushed by wxj6000
February 20, 2024 03:23 16s hf-dispersion
February 20, 2024 03:23 16s
dft grouped gemm
Lint #229: Pull request #3 synchronize by wxj6000
February 20, 2024 03:01 18s dft_grouped_gemm
February 20, 2024 03:01 18s
Merge branch 'master' into dft_grouped_gemm
Lint #228: Commit c7bd673 pushed by wxj6000
February 20, 2024 03:01 35s dft_grouped_gemm
February 20, 2024 03:01 35s
clean up
Lint #227: Commit 2622394 pushed by wxj6000
February 19, 2024 07:44 15s hf-dispersion
February 19, 2024 07:44 15s
Merge branch 'master' into hf-dispersion
Lint #226: Commit be89133 pushed by wxj6000
February 19, 2024 07:40 15s hf-dispersion
February 19, 2024 07:40 15s
enable dispersion correction for hf & aligned with pyscf
Lint #225: Commit 42e8fe8 pushed by wxj6000
February 19, 2024 07:36 16s hf-dispersion
February 19, 2024 07:36 16s
Skip libxc (#110)
Lint #224: Commit 0de3fd2 pushed by wxj6000
February 19, 2024 05:44 14s master
February 19, 2024 05:44 14s
Hess nuc elec (#106)
Lint #223: Commit a8f698c pushed by wxj6000
February 18, 2024 05:48 17s master
February 18, 2024 05:48 17s
Merge branch 'pyscf:master' into skip_libxc
Lint #222: Commit dd817fd pushed by wxj6000
February 18, 2024 05:47 15s skip_libxc
February 18, 2024 05:47 15s
February 18, 2024 05:35 18s
add torsionscan example
Lint #220: Commit 7d911c5 pushed by wxj6000
February 17, 2024 07:15 15s master
February 17, 2024 07:15 15s
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