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Pull requests: deepmodeling/abacus-develop
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Feature: (minor) support various boolean expressions for outputting flags
#5489
opened Nov 14, 2024 by
kirk0830
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4 tasks
Feature: make force and stress of sDFT support GPU
GPU & DCU & HPC
GPU and DCU and HPC related any issues
#5487
opened Nov 14, 2024 by
Qianruipku
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Refactor: move cal_edm_tddft to module_dm
The Absolute Zero
Reduce the "entropy" of the code to 0
#5485
opened Nov 14, 2024 by
YuLiu98
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Additional explanations to the example files and fixing result.ref file in examples/bsse/water
#5484
opened Nov 14, 2024 by
qq270814845
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1 of 4 tasks
Refactor: remove lcao_fun.cpp
The Absolute Zero
Reduce the "entropy" of the code to 0
#5481
opened Nov 14, 2024 by
YuLiu98
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Refator:Add the cuda support for the FFT_TEMP
GPU & DCU & HPC
GPU and DCU and HPC related any issues
Test: delete Issues related to compiling ABACUS
threshold files in the examples with warnings and update the result.ref files
Compile & CICD & Docs & Dependencies
#5402
opened Nov 4, 2024 by
WHUweiqingzhou
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Feature: LR-TDDFT support reading fxc from file or calculating fxc by a specified charge file
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
#5393
opened Nov 1, 2024 by
maki49
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add RDMFT(Reduced Density Matrix Functional Theory) code
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
#5325
opened Oct 22, 2024 by
JGHan7
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Refactor namespace Exx_Opt_Orb
EXX and lr-TDDFT
Related to EXX, this label is designed only for PeizeLin and Maki49
Refactor
Refactor ABACUS codes
#5226
opened Oct 13, 2024 by
PeizeLin
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