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patch to build wheel without recompiling
Lint #261: Commit 5da6bc9 pushed by chillenb
January 26, 2025 20:16 50s prod
January 26, 2025 20:16 50s
patch to build wheel without recompiling
Lint #260: Commit 0241db6 pushed by chillenb
January 26, 2025 20:15 46s prod
January 26, 2025 20:15 46s
Fix two links to the libxc website
Lint #259: Commit ccedc56 pushed by chillenb
January 26, 2025 20:14 50s master
January 26, 2025 20:14 50s
Merge branch 'master' into moleintor_doc2
Lint #258: Commit 5c9d6a4 pushed by sunqm
January 16, 2025 14:19 48s moleintor_doc2
January 16, 2025 14:19 48s
fix the long line the correct way
Lint #257: Commit 0687f94 pushed by chillenb
January 16, 2025 00:16 45s moleintor_doc2
January 16, 2025 00:16 45s
flake8 ignore line too long in moleintor docstring
Lint #256: Commit b72bef7 pushed by chillenb
January 12, 2025 18:03 46s moleintor_doc2
January 12, 2025 18:03 46s
update moleintor documentation
Lint #255: Commit 44123c7 pushed by chillenb
January 12, 2025 18:00 49s moleintor_doc2
January 12, 2025 18:00 49s
January 12, 2025 17:58 48s
add documentation for libcint integral expressions (#2599)
Lint #253: Commit dfba795 pushed by chillenb
January 12, 2025 17:58 46s master
January 12, 2025 17:58 46s
Update moleintor.py
Lint #252: Commit fcf6118 pushed by sunqm
January 12, 2025 01:14 50s moleintor_doc
January 12, 2025 01:14 50s
add documentation for libcint integral expressions
Lint #251: Commit c29db16 pushed by chillenb
January 10, 2025 19:31 48s moleintor_doc
January 10, 2025 19:31 48s
move 3d copy to numpy helper
Lint #250: Commit a1e797b pushed by chillenb
December 28, 2024 00:22 46s libgw
December 28, 2024 00:22 46s
faster rho_response for unrestricted GWAC
Lint #249: Commit 7d6fec5 pushed by chillenb
December 27, 2024 23:46 49s libgw
December 27, 2024 23:46 49s
Fix TypeError when cc.frozen is nonzero numpy.integer (#2576)
Lint #248: Commit 0f17748 pushed by chillenb
December 27, 2024 19:07 48s master
December 27, 2024 19:07 48s
faster rho_response for unrestricted GWAC
Lint #247: Commit e6cdb34 pushed by chillenb
December 18, 2024 20:05 48s libgw
December 18, 2024 20:05 48s
a few ao2mo type checks
Lint #246: Commit 3ac31c8 pushed by chillenb
December 18, 2024 17:51 52s master
December 18, 2024 17:51 52s
complex variants (for PBC, in future)
Lint #245: Commit 3d8ad03 pushed by chillenb
December 17, 2024 19:12 55s libgw
December 17, 2024 19:12 55s
dfmp2: fix invocation of mf.get_veff
Lint #244: Commit 225b670 pushed by chillenb
December 17, 2024 19:11 47s dfmp2bug
December 17, 2024 19:11 47s
dfmp2: fix invocation of mf.get_veff
Lint #243: Commit e4097ff pushed by chillenb
December 17, 2024 19:07 51s dfmp2bug
December 17, 2024 19:07 51s
complex variants (for PBC, in future)
Lint #242: Commit da89d20 pushed by chillenb
December 16, 2024 23:51 48s libgw
December 16, 2024 23:51 48s
a few ao2mo type checks
Lint #241: Commit d2c834e pushed by chillenb
December 13, 2024 23:26 47s ao2mocheck
December 13, 2024 23:26 47s
Multiple small fixes: bugs, comments, and tests (#2526)
Lint #240: Commit c589689 pushed by chillenb
December 13, 2024 10:02 51s ao2mocheck
December 13, 2024 10:02 51s
Multiple small fixes: bugs, comments, and tests (#2526)
Lint #239: Commit c589689 pushed by chillenb
December 13, 2024 10:02 1m 15s master
December 13, 2024 10:02 1m 15s
Verify Examples (#2379)
Lint #238: Commit 9f8fe30 pushed by chillenb
November 27, 2024 17:27 54s master
November 27, 2024 17:27 54s
restore lib.zeros for testing
Lint #237: Commit 0496bc8 pushed by chillenb
November 17, 2024 15:31 51s np_helper_multiply
November 17, 2024 15:31 51s