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Pull requests: deepmodeling/abacus-develop
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2026PKUCourseHW5: Replace fixed-size char array with std::string
#7138
opened Mar 25, 2026 by
GenZeal-Lin
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2026PKUCourseHW5：使用 std::mt19937 替代 rand() 以提高浮点数精度
#7137
opened Mar 25, 2026 by
Tornado1016
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2026PKUCourseHW5：Fix file open check in utils.cpp
#7136
opened Mar 25, 2026 by
derekyjy
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4 tasks
2026PKUCourseHW5: Initialize potentially uninitialized variables
#7135
opened Mar 25, 2026 by
GenZeal-Lin
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2026PKUCourseHW5：Add file open checks for multiple output files
#7134
opened Mar 25, 2026 by
GenZeal-Lin
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2026PKUCourseHW5: fix type conversion and file open check
#7133
opened Mar 25, 2026 by
MiniYuanBot
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2026PKUCourseHW5：Improve error message in Fcoef::create
#7131
opened Mar 25, 2026 by
collapsar-z
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Feature: add OpenMP in
XC_Functional_Libxc::v_xc_libxc()
#7130
opened Mar 24, 2026 by
linpeize
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Add initialization checking in BFGS, and replace the old BFGS with a new one in CG-BFGS.
Bugs
Bugs that only solvable with sufficient knowledge of DFT
GeometryRelaxation
Issues related to geometry relaxation
Refactor
Refactor ABACUS codes
#7117
opened Mar 23, 2026 by
19hello
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4 tasks
Fix IntArray class and a few math classes with memory management and code style improvements
Refactor
Refactor ABACUS codes
#7112
opened Mar 23, 2026 by
mohanchen
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4 tasks
Feature: use new format of CSR file for out_mat_hs2 and out_mat_ds, out_mat_t, out_mat_r, out_mat_xc2
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
Input&Output
Suitable for coders without knowing too many DFT details
Refactor
Refactor ABACUS codes
#6991
opened Mar 2, 2026 by
dyzheng
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4 tasks
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bug with -label:bug.