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119 Open 1,992 Closed
119 Open 1,992 Closed
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Issues list

'Grid_Technique::init_atoms_on_grid warning : No atom on this sub-FFT-mesh' in warning.log when running lcao relax Questions Raise your quesiton! We will answer it.
#5822 opened Jan 6, 2025 by JHWang1001
16 tasks
@dzzz2001
2
Wrong use of dmin in diagH_subspace Diago Issues related to diagonalizaiton methods Questions Raise your quesiton! We will answer it.
#5819 opened Jan 5, 2025 by Qianruipku
16 tasks
@haozhihan
Current PW version does not support single precision Bugs Bugs that only solvable with sufficient knowledge of DFT
#5811 opened Jan 4, 2025 by Qianruipku
16 tasks
1
When compiling GPU-lcao, I encountered cusolvermp header file problem. Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS GPU & DCU & HPC GPU and DCU and HPC related any issues
#5809 opened Jan 4, 2025 by tang070205
6
DCU Compile error Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS GPU & DCU & HPC GPU and DCU and HPC related any issues
#5806 opened Jan 3, 2025 by Cstandardlib
16 tasks
spin contamination Questions Raise your quesiton! We will answer it.
#5804 opened Jan 3, 2025 by lyf-ustc
3
find symmetry for magnetic calculation Symmetry This issue is related to symmetry
#5803 opened Jan 3, 2025 by lyf-ustc
2 of 16 tasks
1
Crashing at the end of the scf calculation Bugs Bugs that only solvable with sufficient knowledge of DFT DFT+U Issues related to DFT plus U function
#5800 opened Jan 3, 2025 by summitmoon
9 tasks
@dyzheng
2
BAD TERMINATION when output Questions Raise your quesiton! We will answer it.
#5796 opened Jan 2, 2025 by Shen-Zhen-Xiong
16 tasks
1
start_magnetization in magnetism.cpp should be refactored Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes
#5787 opened Dec 31, 2024 by mohanchen
Symmetry for magnetic calculation Bugs Bugs that only solvable with sufficient knowledge of DFT Symmetry This issue is related to symmetry
#5786 opened Dec 30, 2024 by kluophysics
@dyzheng
7
Length gague rt-tddft terminated during current calculation Bugs Bugs that only solvable with sufficient knowledge of DFT
#5784 opened Dec 30, 2024 by ESROAMER
16 tasks
high throughput calculation problem Questions Raise your quesiton! We will answer it.
#5776 opened Dec 27, 2024 by JTaozhang
16 tasks
1
Question: What is the highest supported version of Libxc in ABACUS? Questions Raise your quesiton! We will answer it.
#5774 opened Dec 26, 2024 by AsTonyshment
1 of 10 tasks
2
abacus-plot -b can't recognize the keyword 'efermi' 'energy_r',when I change them, the results still keep unchange. Questions Raise your quesiton! We will answer it.
#5769 opened Dec 26, 2024 by gx-dft
16 tasks
1
The readability of type 'hpsi_info' maybe is poor Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5768 opened Dec 26, 2024 by haozhihan
8 tasks
Hyperfine field Feature Discussed The features will be discussed first but will not be implemented soon
#5762 opened Dec 25, 2024 by iduygnay
14 tasks
1
A question about the code for reading pseudopotentials non-collinear/SOC Issues related to SOC Questions Raise your quesiton! We will answer it.
#5757 opened Dec 24, 2024 by A-006
16 tasks
@dyzheng
3
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
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
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
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
ProTip! What’s not been updated in a month: updated:<2024-12-06.