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Pull requests: deepmodeling/abacus-develop

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Pull requests list

Fix: Enable EXX PW ACE only when separate_loop is on Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#6043 opened Mar 22, 2025 by Flying-dragon-boxing Loading…
4 tasks
2
Optimize: Compilation time of vdwd3_autoset_xcparam.cpp Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS Refactor Refactor ABACUS codes
#6042 opened Mar 22, 2025 by Qianruipku Loading…
Reopen unit test for DeePKS multi-k case. Bugs Bugs that only solvable with sufficient knowledge of DFT DeePKS Issues related to the DeePKS Refactor Refactor ABACUS codes
#6039 opened Mar 21, 2025 by ErjieWu Loading…
1
Fix: add the print header for cusolvermp in scf info Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes
#6038 opened Mar 21, 2025 by kirk0830 Loading…
1
2
Add templates for recip_to_real in the pw_basis Refactor Refactor ABACUS codes
#6023 opened Mar 19, 2025 by A-006 • Draft
Feature: DCU kernel improvements for cal_grad Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#6021 opened Mar 18, 2025 by jieli-matrix Loading…
12
Fix: directly enter exx loop when init_wfc=="file" EXX and lr-TDDFT Related to EXX or lr-TDDFT Refactor Refactor ABACUS codes
#6019 opened Mar 18, 2025 by maki49 Loading…
add LBFGS method Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#6005 opened Mar 13, 2025 by 19hello Loading…
4 tasks
3
Feature: Optimize dngvd_op with CPU/GPU Branching Based on nstart Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#5919 opened Feb 21, 2025 by jieli-matrix Loading…
9
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