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Pull requests: deepmodeling/abacus-develop
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Refactor: remove the redundant macro in source file of VDW module
#5562
opened Nov 21, 2024 by
kirk0830
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Fix: swap the sizeof() be the first multiplier to avoid overflow of int
#5561
opened Nov 21, 2024 by
kirk0830
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Refactor: remove
init_wfc&mem_saver&out_wfc_pw&out_wfc_r of wavefunc in abacus
#5557
opened Nov 21, 2024 by
haozhihan
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refactor: modify the default return value of warning quit to 1
#5556
opened Nov 21, 2024 by
pxlxingliang
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4 tasks
Update mult_psi_dmr.cpp
The Absolute Zero
Reduce the "entropy" of the code to 0
#5552
opened Nov 21, 2024 by
mohanchen
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4 tasks
Update init_orb.cpp
The Absolute Zero
Reduce the "entropy" of the code to 0
#5551
opened Nov 21, 2024 by
mohanchen
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4 tasks
Update gint_gamma.h
The Absolute Zero
Reduce the "entropy" of the code to 0
#5550
opened Nov 21, 2024 by
mohanchen
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4 tasks
feature: parallel solve subspace diagonalization in dav_subspace
#5549
opened Nov 21, 2024 by
pxlxingliang
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4 tasks
A noncollinear functional ensemble based on multi-collinear approach
#5542
opened Nov 20, 2024 by
YuleZhang936
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Implement a new BFGS optimizer, used for geometry relaxation
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
GeometryRelaxation
Issues related to geometry relaxation
Refactor
Refactor ABACUS codes
#5467
opened Nov 12, 2024 by
19hello
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4 tasks
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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