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refactor: remove the usused LOC in getForceStress
#4343
opened Jun 11, 2024 by
pxlxingliang
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4 tasks
Remove set_force and set_stress from LCAO_matrix.h and LCAO_matrix.cpp
The Absolute Zero
Reduce the "entropy" of the code to 0
#4341
opened Jun 11, 2024 by
mohanchen
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Parallel design and optimization of the grid integration module (CPU version)
#4333
opened Jun 7, 2024 by
GHSSHG
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Refactor: add alternatives to functions Refactor ABACUS codes
LOWF::gamma_file and LOWF::allocate_k
Refactor
#4331
opened Jun 7, 2024 by
kirk0830
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4 tasks
Memory: reduce memory allocation for hpsi and spsi in diagH_subspace_init func (GPU)
#4321
opened Jun 6, 2024 by
Religious-J
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2 of 4 tasks
Refactor: 1. change "enum calculation_type" to "enum class calculation_type" for safety
#4319
opened Jun 6, 2024 by
PeizeLin
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Memory: reduce memory allocation for hpsi and spsi in diagH_subspace_init func
#4313
opened Jun 5, 2024 by
Religious-J
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2 of 4 tasks
Optimize parallel scheduling based on thread count；Refactor variable declaration and add pointer initialization；Enhance const variables
#4302
opened Jun 4, 2024 by
Esperanzalukas
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Refactor: extracted transpose parameter checking routine of gemm/v
#4279
opened May 30, 2024 by
OldDriver233
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refactor: separate the print_psi from wfc_2d_to_grid and remove the invalid call
#4268
opened May 30, 2024 by
pxlxingliang
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4 tasks
Test the correctness of the modified MD module
#4248
opened May 27, 2024 by
Zjhjunhao
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4 tasks
Refactor: change
R_index in class AtomPair to type ModuleBase::vector3<int>
#4243
opened May 27, 2024 by
DylanWRh
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1 task done
Test: Supplementary use of Memory::record to record memory (new)
#4242
opened May 26, 2024 by
Religious-J
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2 of 4 tasks
CI: add pre-commit.ci to apply clang-format and clang-tidy fixes
Compile & CICD
Issues related to compiling ABACUS
#4225
opened May 24, 2024 by
caic99
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Refactor: use less memory to calculate stress in pw base
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
#4047
opened Apr 23, 2024 by
dyzheng
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