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Pull requests: deepmodeling/abacus-develop
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2026PKUCourseHW5:replace atoi/atof with safe parsing helper
#7142 opened Mar 26, 2026 by xiaoxuPekingUniversity Loading…
2026PKUCourseHW5: Initialize variables to avoid undefined behavior
#7141 opened Mar 26, 2026 by derekyjy Loading…
4 tasks
Enable compatibility of GNU compilers + MKL Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#7139 opened Mar 25, 2026 by Growl1234 Loading…
2026PKUCourseHW5: Replace fixed-size char array with std::string Refactor Refactor ABACUS codes
#7138 opened Mar 25, 2026 by GenZeal-Lin Loading…
2026PKUCourseHW5: Initialize potentially uninitialized variables Refactor Refactor ABACUS codes
#7135 opened Mar 25, 2026 by GenZeal-Lin Loading…
2026PKUCourseHW5：Add file open checks for multiple output files Refactor Refactor ABACUS codes
#7134 opened Mar 25, 2026 by GenZeal-Lin Loading…
Feature: add OpenMP in
XC_Functional_Libxc::v_xc_libxc() #7130 opened Mar 24, 2026 by linpeize Loading…
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 Loading…
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 Loading…
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 Loading…
4 tasks
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