Skip to content

Pull requests: deepmodeling/abacus-develop

New pull request New
46 Open 4,648 Closed
46 Open 4,648 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Toolchain/CMake: Improve dependency handling for libxc, cereal, and RapidJSON
#7449 opened Jun 7, 2026 by Growl1234 Loading…
15
feat: GPU-accelerated WT KEDF multi_kernel convolution
#7448 opened Jun 7, 2026 by SunsetStand Loading…
2 of 4 tasks
Feature: add row-major in DensityMatrix::_DMK Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7447 opened Jun 6, 2026 by linpeize Loading…
2
Refactor/merge openmp MD & LAM MD and Larege Atomic Models project_learning
#7446 opened Jun 6, 2026 by lijianing-sudo Loading…
3 of 4 tasks
Add MPI-aware AtomPack neighbor search prototype project_learning
#7445 opened Jun 6, 2026 by hhb2006 Loading…
3 of 4 tasks
保存 SIMD 向量化与微架构优化成果 project_learning
#7444 opened Jun 6, 2026 by nikolayyc34 Loading…
4 tasks
@dzzz2001
Perf: Add OpenMP parallel for GintInfo::init_atoms_() project_learning
#7443 opened Jun 6, 2026 by amnesi-ary Loading…
4 tasks
@dzzz2001
1
Add WFN-history backend for Gamma-only NAO calculations Refactor Refactor ABACUS codes
#7442 opened Jun 6, 2026 by Growl1234 Loading…
13
Refactor/Add convergence-rate-based adaptive frequency for BPCG subspace diagonalization project_learning
#7441 opened Jun 6, 2026 by Missing-Hex Loading…
Optimize cache reuse and enhance benchmarking scripts project_learning
#7440 opened Jun 6, 2026 by Aunixt Loading…
2 of 4 tasks
6
Perf: OpenMP cache blocking and SIMD for PW_Basis FFT transform copy routines project_learning
#7439 opened Jun 5, 2026 by MiniYuanBot Loading…
@Qianruipku
3
Perf: parallelize count_pw_st with OpenMP collapse(2) project_learning
#7438 opened Jun 5, 2026 by MiniYuanBot Loading…
@Qianruipku
4
refactor: omtimize subspace diag freq in bpcg project_learning
#7435 opened Jun 5, 2026 by Missing-Hex Loading…
Add PPCG diagonalization method with Polak-Ribiere conjugate gradient project_learning
#7434 opened Jun 5, 2026 by DAVID68666 Loading…
3 tasks
3
DeePKS: support collinear spin (nspin=2) Features Needed The features are indeed needed, and developers should have sophisticated knowledge Machine Learning Issues related to the DeePKS Refactor Refactor ABACUS codes
#7433 opened Jun 4, 2026 by ErjieWu Collaborator Loading…
@xuan112358
8
perf(pw_basis): optimize FFT data reordering with memcpy SIMD vectori… project_learning
#7432 opened Jun 4, 2026 by Semt0 Loading…
4 tasks
@Qianruipku
2
Refactor: Improve stability of KSDFT-generated ML descriptors Input&Output Suitable for coders without knowing too many DFT details Machine Learning Issues related to the DeePKS Refactor Refactor ABACUS codes
#7431 opened Jun 4, 2026 by sunliang98 Collaborator Loading…
4 tasks
5
Refactor code to reduce inter-file dependencies. Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7430 opened Jun 4, 2026 by mohanchen Collaborator Loading…
4 tasks
Upload simplified hybrid gauge rt-tddft Refactor Refactor ABACUS codes
#7429 opened Jun 4, 2026 by ESROAMER Collaborator Loading…
@AsTonyshment
6
Optimize Cube output with OpenMP formatting and async writing project_learning
#7425 opened Jun 3, 2026 by Ulikin Loading…
Standardize Molden output and add Multiwfn-specific interface Feature Discussed The features will be discussed first but will not be implemented soon Interfaces Interfaces with other packages
#7424 opened Jun 3, 2026 by Stardust0831 Loading…
10
Optimize MD and NEP hot paths with OpenMP-ready refactors project_learning
#7419 opened Jun 2, 2026 by Audrey-777 Loading…
6
混合精度 CG 特征值求解器的初步实现尝试 project_learning
#7417 opened May 31, 2026 by Absolutely-Daisy Loading…
1
refactor:add parallelization optimization to bpcg project_learning
#7416 opened May 31, 2026 by Missing-Hex Loading…
4 tasks
feat(task356, task3): implement MPI-IO parallel cube file write project_learning
#7415 opened May 31, 2026 by xiaoxuPekingUniversity Loading…
4 tasks
16
ProTip! What’s not been updated in a month: updated:<2026-05-07.