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### Describe the bug
For below system, ABACUS throw below error, after calculation of force:
```
===================================================================================
= BAD TERMINA…
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### Describe the Code Quality Issue
Abacus support the output of coefficients of wave functions, but the file names are not consistent in different situations. Such as:
- for pw basis, the file na…
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I observed that there's **very less space** between the **result area**, **Toolbar** and **abacus area**.
I think **increasing the margin between Result part, Toolbar and Abacus** will give us more s…
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### Describe the bug
Below two examples have the large energy difference between results by DCU and CPU.
```
converge energy device
cpu/075_NCe True -1561.087565 cpu
…
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### Details
“After synchronizing the content of my develop branch with the main branch, the doxygen unit test branch did not pass
![img_v3_02bh_3208991f-5a9e-413b-aee8-f0dbe7501d0g](https://github.c…
A-006 updated
5 months ago
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### Describe the bug
We use LCAO method to calculate a configuration of diamond with 216-atom, it would appear "solve_tridie gj" in some case. (If there are no errors, it may be necessary to test mul…
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### Describe the bug
I cannot search something by keyword in online documents.
### Expected behavior
fix it
### To Reproduce
_No response_
### Environment
_No response_
### Additional Context
…
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Hey!
Our use case only involves evaluating basic maths and floating point manipulation functions - we would love to be able to disable the evaluation of things we don't need, such as factorial, bi…
zefj updated
5 months ago
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### Describe the bug
I try to compile the latest abacus on Sugon dcu, and get the bellow error:
```
source/module_hsolver/CMakeFiles/hsolver.dir/diago_dav_subspace.cpp.o: In function `hsolver::Diag…
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### Background
For real-time tddft calculations of periodic systems, velocity gauge should be adoped, and only the vector potential A(t) is needed in solving the td Kohn-Sham equations. Currently, ab…