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拉取请求: microsoft/qdk-chemistry

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拉取请求 list

Prevent MP2 localizer deprecation warnings during import
#691 opened Aug 28, 2026 by Copilot AI • Draft
1
@wavefunction91
2
Update molecular QPE tutorial to current sparse-isometry API
#690 opened Aug 28, 2026 by David Williams-Young (wavefunction91) Collaborator • 3/3 Loading…
Add MCP enhancement 新建 feature or request ready-to-review A PR that is ready to be reviewed
#689 opened Aug 28, 2026 by Jan Unsleber (nabbelbabbel) Collaborator Loading… Release No. 4
@nabbelbabbel
42
Add double factorization as an algorithm
#687 opened Aug 27, 2026 by Yingrong Chen (YingrongChen) Member • 2/3 Loading…
@RushiGong
12
Add ExaChem CI integration for GHA and ADO pipelines CI/CD CI/CD Pipelines & dev tools github_actions 拉取请求 that update GitHub 操作 code ready-to-review A PR that is ready to be reviewed
#685 opened Aug 26, 2026 by Loris Ercole (lorisercole) Contributor Loading…
8
Fix conflict between BLAS inner thread pool and the preset thread pool calling GauXC, by transferring BLAS vendor only
#674 opened Aug 24, 2026 by Boqin Zhang (BoqinZhang) Contributor Loading…
17
Add QICAS active-space selector
#673 opened Aug 24, 2026 by Conrad Johnston (ConradJohnston) Contributor • Draft
Add cross-platform file I/O utilities
#660 opened Aug 21, 2026 by Conrad Johnston (ConradJohnston) Contributor • Draft
3
Align OrbitalLocalizer naming across Python and C++
#652 opened Aug 18, 2026 by Conrad Johnston (ConradJohnston) Contributor Loading…
1
14
ci: add AI-generated PR description via GitHub Agentic Workflows CI/CD CI/CD Pipelines & dev tools
#650 opened Aug 18, 2026 by Loris Ercole (lorisercole) Contributor • Draft
4 tasks
ci: restore fork-safe coverage PR comment via workflow_run CI/CD CI/CD Pipelines & dev tools
#648 opened Aug 18, 2026 by Loris Ercole (lorisercole) Contributor Loading…
12
Add fermionic_low_rank BLISS algorithm
#623 opened Aug 7, 2026 by Boqin Zhang (BoqinZhang) Contributor • Draft
@RushiGong
41
Alias sampling and QROM state preparation
#621 opened Aug 6, 2026 by Yingrong Chen (YingrongChen) Member • 1/3 Loading…
@feisuxiaozhu @RushiGong
161
Add SW-PT2 downfolding
#619 opened Aug 5, 2026 by Kristjan Eimre (eimrek) Member Loading…
@mmoerchen @agamshayit-ms
15
Add ExachemCcsdCalculator to qdk-chemistry
#611 opened Aug 4, 2026 by Agam Shayit (agamshayit-ms) Contributor • Draft
Add bosonic Hamiltonian support (standard-binary and Gray encodings)
#609 opened Aug 3, 2026 by David Williams-Young (wavefunction91) Collaborator Loading…
@agamshayit-ms
20
Add DUCC to qdk-chemistry
#602 opened Aug 1, 2026 by Agam Shayit (agamshayit-ms) Contributor Loading…
@mmoerchen
18
Add explicit Windows ARM64 support CI/CD CI/CD Pipelines & dev tools
#593 opened Jul 29, 2026 by David Williams-Young (wavefunction91) Collaborator Loading…
142
Add Cholesky active-orbital basis transformation
#588 opened Jul 28, 2026 by Conrad Johnston (ConradJohnston) Contributor Loading…
@ConradJohnston
9
eri_use_atomics added as option to hamiltonian construction & ecp fix bug Something isn't working user A request made by a user
#583 opened Jul 17, 2026 by vbarandun Loading…
@mmoerchen
7
Add robust phase estimation for randomized evolution
#582 opened Jul 16, 2026 by Shuchen Zhu (feisuxiaozhu) Contributor Loading…
@feisuxiaozhu @RushiGong @agamshayit-ms
48
fix(rohf): handle linearly dependent bases where n_MO < n_AO (#543) enhancement 新建 feature or request user A request made by a user
#554 opened Jun 29, 2026 by adithyaphanithota (Adithyaphani) Loading…
1
125
MPS sequential state prep algorithm
#540 opened Jun 19, 2026 by Yingrong Chen (YingrongChen) Member • Draft
7
SOSSA hamiltonian builder and circuit mapper
#539 opened Jun 19, 2026 by Yingrong Chen (YingrongChen) Member • 3/3 • Draft
13
Add spin-free 1e-x2c Hamiltonian
#480 opened May 15, 2026 by Agam Shayit (agamshayit-ms) Contributor Loading…
@mmoerchen
72
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