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Pull requests: microsoft/qdk-chemistry

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Pull requests list

Improve Cholesky performance by removing per-thread buffers
#454 opened Apr 22, 2026 by ConradJohnston Contributor • Draft
1
Add ROHF GDM
#453 opened Apr 21, 2026 by v-boqinzhang Contributor Loading…
1
@v-boqinzhang
10
implement scf_solver to run density fitted SCF
#452 opened Apr 20, 2026 by rainli323 Contributor • Draft
1
Include double-d-shell orbitals in valence space selection
#451 opened Apr 20, 2026 by ConradJohnston Contributor Loading…
8
Add Windows build support with clang-cl and vcpkg
#450 opened Apr 20, 2026 by lorisercole Contributor Loading… Release 3
32
Generalize TimeEvolutionUnitary and related builders to Unitary
#448 opened Apr 17, 2026 by YingrongChen Member Loading…
15
Bugfix: Add ECP Contributions
#447 opened Apr 17, 2026 by wavefunction91 Collaborator Loading…
1
1
Optimize Cholesky Hamiltonian generation, remove G from ASCI HamiltonianGenerator
#444 opened Apr 16, 2026 by v-boqinzhang Contributor • Draft
1
Add dense solver path for MACIS CAS
#443 opened Apr 15, 2026 by wavefunction91 Collaborator Loading…
7
Add tolerance configration to PySCF AVAS module
#442 opened Apr 15, 2026 by wavefunction91 Collaborator Loading…
4
Add auxiliary basis set info to BasisSet
#441 opened Apr 15, 2026 by rainli323 Contributor • Draft
1
Transpile to IBM fake backends
#437 opened Apr 7, 2026 by v-agamshayit Contributor Loading…
19
Implement sparse isometry with binary encoding
#435 opened Apr 6, 2026 by RushiGong Contributor Loading…
26
Adding time-dependent Hamiltonian evolution
#431 opened Mar 30, 2026 by v-agamshayit Contributor Loading…
69
Add Hadamard test algorithm
#405 opened Mar 16, 2026 by v-boqinzhang Contributor • Draft
@v-boqinzhang
50
Add observable dynamic mode decomposition
#392 opened Mar 5, 2026 by v-boqinzhang Contributor • Draft Release 3
@v-boqinzhang
16
Density Fitting HamiltonianContainer
#335 opened Jan 22, 2026 by rainli323 Contributor Loading…
@mmoerchen
88
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