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Pull requests: deepmodeling/abacus-develop

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7 Open 3,712 Closed
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Pull requests list

Fix: DFT+U force&stress with orbital_corr of some elements are -1
#6049 opened Mar 24, 2025 by dyzheng Loading…
4 tasks
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…
2
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 Loading…
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…
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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