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

214 Open 1,379 Closed
214 Open 1,379 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

GlobalV and INPUT should be refactored. Refactor Refactor ABACUS codes
#4507 opened Jun 27, 2024 by Qianruipku
8 tasks
1
@Qianruipku
Large EDIFF in last scf step suddenly
#4505 opened Jun 27, 2024 by Shen-Zhen-Xiong
16 tasks
Should remove the dependency of write_dmr on the dimension of H matrix
#4501 opened Jun 27, 2024 by pxlxingliang
8 tasks
1
Refactor: check_structure() should be removed from UnitCell
#4498 opened Jun 26, 2024 by sunliang98
8 tasks
@sunliang98
Refactor: numerical_basis functions are highly memory-demanding Numerical Atomic Orbitals Numerical Atomic Orbitals for LCAO calculations
#4490 opened Jun 26, 2024 by kirk0830
9 tasks
(Possible) Bug: memory leak detected by clang-tidy in read_wfc_nao.cpp file
#4482 opened Jun 25, 2024 by kirk0830
16 tasks
@kirk0830
out_pot does not work for nscf calculations
#4481 opened Jun 24, 2024 by wenfei-li
16 tasks
Code does not exit even when errors are encountered
#4480 opened Jun 24, 2024 by wenfei-li
16 tasks
Clarity of Code Changes in Pull Requests Compromised by Pre-Commit Formatting Questions Raise your quesiton! We will answer it.
#4475 opened Jun 24, 2024 by Cstandardlib
1 of 10 tasks
1
ERROR when using ASE-ABACUS with different ABACUS version
#4471 opened Jun 22, 2024 by Luc1anoo
16 tasks
@1041176461
1
SOC "Caught signal 11 (Segmentation fault: address not mapped to object at address 0x10)" error
#4459 opened Jun 21, 2024 by 1041176461
16 tasks
Why the charge file .cube still output when i set out_chg=0?
#4455 opened Jun 20, 2024 by xdzhu
16 tasks
2
diffierent output between v3.5.1(gnu) v3.6.5(intel)
#4448 opened Jun 20, 2024 by lgjsws
16 tasks
7
Bug: ABACUS esolver_type lj is not implemented correctly thus not practically usable Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4444 opened Jun 20, 2024 by kirk0830
16 tasks
large amount of irrelevant GPU memory allocation was observed when running GPU LCAO.
#4442 opened Jun 19, 2024 by goodchong
16 tasks
1
NO STRU_ION_1 file output when i use out_stru 1 in cell-relax or relax calculation Input&Output Suitable for coders without knowing too many DFT details
#4435 opened Jun 19, 2024 by xdzhu
16 tasks
1
@hongriTianqi @pxlxingliang
1
The stress calculation is OOM when set kpar > 1
#4432 opened Jun 19, 2024 by pxlxingliang
9 tasks
@dyzheng @pxlxingliang
5
Need to refactor istate_envelope.cpp and add INPUT parameter bands_to_print for get_wf calculation
#4412 opened Jun 17, 2024 by AsTonyshment
14 tasks
@AsTonyshment
Refactor: Remove DiagoDavid's Dependency on Psi Data Type
#4404 opened Jun 16, 2024 by Cstandardlib
6 of 8 tasks
@Cstandardlib
Refactor: Replace Pointer with Object Instance for Eigensolver The Absolute Zero Reduce the "entropy" of the code to 0
#4373 opened Jun 13, 2024 by Cstandardlib
3 of 8 tasks
@Cstandardlib
Feature out_dm should be deleted, and rename out_dm1 to out_dm. Also feature of init_dm is needed.
#4368 opened Jun 13, 2024 by dyzheng
14 tasks
2
@pxlxingliang
Refactor: remove LCAO_Matrix class The Absolute Zero Reduce the "entropy" of the code to 0
#4364 opened Jun 13, 2024 by WHUweiqingzhou
8 tasks
@WHUweiqingzhou
Refactor&Feature: present precision of wavefunction output to file WFC_NAO_K*/LOWF_K_*.txt is ridiculous Input&Output Suitable for coders without knowing too many DFT details
#4363 opened Jun 13, 2024 by kirk0830
8 tasks
@pxlxingliang
2
unnecessarily compiled lib in CMake when ENABLE_LCAO is OFF.
#4354 opened Jun 12, 2024 by Qianruipku
8 tasks
@dyzheng
1
LCAO cannot give correct elastic constants of NbTiZrHf Performance Issues related to fail running ABACUS
#4345 opened Jun 11, 2024 by Luc1anoo
16 tasks
@WHUweiqingzhou
2
ProTip! Exclude everything labeled bug with -label:bug.