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Pull requests list

Fix IQPE diagram exponent rendering
#700 opened Sep 2, 2026 by Nathan Baker (sobolevnrm) Collaborator Loading…
1
2
Use analytic gradients by default for nuclear derivatives
#696 opened Sep 1, 2026 by Jan Unsleber (nabbelbabbel) Collaborator • Draft
Make phase inversion correct for powered unitary representations
#695 opened Sep 1, 2026 by Rushi Gong (RushiGong) Contributor Loading…
1
11
Feature/agamshayit/1e x2c0 scf
#693 opened Aug 31, 2026 by Agam Shayit (agamshayit-ms) Contributor • Draft
Prevent MP2 localizer deprecation warnings during import
#691 opened Aug 28, 2026 by Copilot AI Loading…
1
@wavefunction91
5
Update molecular QPE tutorial to current sparse-isometry API
#690 opened Aug 28, 2026 by David Williams-Young (wavefunction91) Collaborator • 3/3 Loading…
1
3
Add MCP enhancement New 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
100
Add double factorization as an algorithm
#687 opened Aug 27, 2026 by Yingrong Chen (YingrongChen) Member • 2/3 Loading…
@RushiGong
65
Add ExaChem CI integration for GHA and ADO pipelines + reorganize build scripts CI/CD CI/CD Pipelines & dev tools github_actions Pull requests that update GitHub Actions code ready-to-review A PR that is ready to be reviewed
#685 opened Aug 26, 2026 by Loris Ercole (lorisercole) Contributor Loading…
45
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…
23
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
165
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
20
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 New feature or request user A request made by a user
#554 opened Jun 29, 2026 by adithyaphanithota (Adithyaphani) Loading…
1
127
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