Skip to content

Issues: deepmodeling/abacus-develop

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

130 Open 1,962 Closed
130 Open 1,962 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
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Hyperfine field
#5762 opened Dec 25, 2024 by iduygnay
14 tasks
A question about the code for reading pseudopotentials Questions Raise your quesiton! We will answer it.
#5757 opened Dec 24, 2024 by A-006
16 tasks
@dyzheng
2
ModuleBase::Vector3 should support manipulation between int and double. Questions Raise your quesiton! We will answer it.
#5756 opened Dec 24, 2024 by ErjieWu
14 tasks
1
Use vector to replace int *ngk in psi class Refactor Refactor ABACUS codes
#5754 opened Dec 24, 2024 by haozhihan
8 tasks
@haozhihan
The question during the self-consistent calculations Performance Issues related to fail running ABACUS
#5753 opened Dec 23, 2024 by summitmoon
9 tasks
2
[Request] Dipole Correction in multiple directions Questions Raise your quesiton! We will answer it.
#5751 opened Dec 21, 2024 by QuantumMisaka
14 tasks
@mohanchen
3
Bug: ABACUS actually start to run a noncollinear calculation with a positive mag when one set a negative initial mag in STRU Bugs Bugs that only solvable with sufficient knowledge of DFT
#5750 opened Dec 20, 2024 by WHUweiqingzhou
16 tasks
orb_files and pp_files should be stored using dictionaries instead of lists DeePKS Issues related to the DeePKS Questions Raise your quesiton! We will answer it.
#5749 opened Dec 20, 2024 by Chentao168
14 tasks
@ErjieWu
Badgap label needs support odd-electron systems in deepks DeePKS Issues related to the DeePKS Refactor Refactor ABACUS codes
#5748 opened Dec 20, 2024 by Chentao168
14 tasks
The function of checking the format of the training dataset needs to be enhanced in deepks DeePKS Issues related to the DeePKS Refactor Refactor ABACUS codes
#5747 opened Dec 20, 2024 by Chentao168
14 tasks
@ErjieWu
The psi class has 8 constructors, and its usage needs to be streamlined. The Absolute Zero Reduce the "entropy" of the code to 0
#5746 opened Dec 19, 2024 by haozhihan
8 tasks
@haozhihan
Irreasonable results when setting size of BaseMatrix size of AtomPair in HContainer. Bugs Bugs that only solvable with sufficient knowledge of DFT
#5744 opened Dec 19, 2024 by ErjieWu
16 tasks
1
@ErjieWu
2
When outputting a DMR sparse format matrix, the ordering definition in R differs from that in HR. Feature Discussed The features will be discussed first but will not be implemented soon Input&Output Suitable for coders without knowing too many DFT details
#5741 opened Dec 18, 2024 by goodchong
14 tasks
NSPIN2 different with NSPIN1 with LIBXC Bugs Bugs that only solvable with sufficient knowledge of DFT
#5734 opened Dec 16, 2024 by dyzheng
16 tasks
@PeizeLin
3
Stress calculation is error when using LIBXC Bugs Bugs that only solvable with sufficient knowledge of DFT
#5733 opened Dec 16, 2024 by dyzheng
16 tasks
@PeizeLin
1
Feature: support output pchg for nspin=4 Input&Output Suitable for coders without knowing too many DFT details
#5723 opened Dec 12, 2024 by WHUweiqingzhou
14 tasks
Feature: please support get_wf for nspin=4 Input&Output Suitable for coders without knowing too many DFT details
#5722 opened Dec 12, 2024 by WHUweiqingzhou
14 tasks
not output force and stress with kpacing Bugs Bugs that only solvable with sufficient knowledge of DFT
#5711 opened Dec 10, 2024 by Weizhang88
16 tasks
@sunliang98
1
Feature Request: wavefunction extrapolation for MD Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#5708 opened Dec 10, 2024 by YuLiu98
14 tasks
@mohanchen
1
ABACUS LCAO calculation with genelpa: pop warning information when the overlap matrix is not positive-definite Diago Issues related to diagonalizaiton methods Questions Raise your quesiton! We will answer it.
#5707 opened Dec 10, 2024 by kirk0830
14 tasks
@Cstandardlib
2
Is this EOS change trend correct? Questions Raise your quesiton! We will answer it.
#5699 opened Dec 9, 2024 by braveSXG
1 of 10 tasks
@mohanchen
3
Issue with precision single and GPU support in ABACUS when using Intel toolchain GPU & DCU & HPC GPU and DCU and HPC related any issues
#5679 opened Dec 4, 2024 by kogareru1z
16 tasks
@Critsium-xy @dzzz2001
3
Reliability of ABACUS in charged system Questions Raise your quesiton! We will answer it.
#5645 opened Nov 28, 2024 by LKFEIYI
1 of 10 tasks
@mohanchen
3
The result with symmetry 0 and 1 is different Symmetry This issue is related to symmetry
#5638 opened Nov 28, 2024 by pxlxingliang
16 tasks
1
The integrate test of 312_NO_GO_wfc_get_wf is break Bugs Bugs that only solvable with sufficient knowledge of DFT
#5635 opened Nov 28, 2024 by pxlxingliang
9 tasks
@AsTonyshment
ProTip! Updated in the last three days: updated:>2024-12-21.