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优化RepFlowLayer和SiLUT的内存使用，简化计算过程；在SOGKSpace中移除冗余的virial计算，改用解析傅里叶形式 Build and upload to PyPI #50: Commit 21c23b5 pushed by Johnsonjz
5m 25s sog-lmp
sog-lmp
5m 25s
feat(pt_expt): align the training runtime with pt (#5958) Build and upload to PyPI #49: Commit bc902da pushed by Johnsonjz
14m 36s devel
devel
14m 36s
feat: SFPG cross-rank completion — capabilities, ZBL bridging and spi… Build and upload to PyPI #48: Commit a3195b0 pushed by Johnsonjz
20m 57s devel
devel
20m 57s
Add DeepMD plugin and build configuration for op/pt module Build and upload to PyPI #47: Commit 11bafe0 pushed by Johnsonjz
4m 58s sog-lmp
sog-lmp
4m 58s
Enhance SOGKSpace and GPU implementation with direct k-space mode and… Build and upload to PyPI #46: Commit f21757e pushed by Johnsonjz
32m 7s sog-lmp
sog-lmp
32m 7s
新增对SOG模型和LR拟合网络的充电中性支持，增强了长程计算的准确性 Build and upload to PyPI #45: Commit 96ffc5b pushed by Johnsonjz
4m 47s sog-lmp
sog-lmp
4m 47s
新增测试以验证SOGEnergyModel中的融合短程和长程训练路径的正确性 Build and upload to PyPI #44: Commit 955b914 pushed by Johnsonjz
5m 32s sog-lmp
sog-lmp
5m 32s
Add support for QuadS separable quadrature splines in SOGKSpace Build and upload to PyPI #43: Commit ddfea95 pushed by Johnsonjz
4m 56s sog-lmp
sog-lmp
4m 56s
修正SOGKSpace中的常量定义，使用MY_PI替代M_PI，并注释掉调试信息输出 Build and upload to PyPI #42: Commit 88d6033 pushed by Johnsonjz
10m 13s sog-lmp
sog-lmp
10m 13s
Refactor SOGKSpace and SOG spline definitions for improved clarity an… Build and upload to PyPI #41: Commit e26c742 pushed by Johnsonjz
8m 34s sog-lmp
sog-lmp
8m 34s
更新SOGKSpace以推断有效的b和sigma参数，增强自能量修正功能 Build and upload to PyPI #40: Commit e3dbad5 pushed by Johnsonjz
7m 13s sog-lmp
sog-lmp
7m 13s
更新SOGKSpace以支持CubeS₂的cubes2_phi_max参数，重构核参数计算，添加自能量修正功能 Build and upload to PyPI #39: Commit d6d3eba pushed by Johnsonjz
8m 3s sog-lmp
sog-lmp
8m 3s
更新SOGKSpace以支持CubeS₂ 4阶样条，修复内核参数计算 Build and upload to PyPI #38: Commit f4ca744 pushed by Johnsonjz
7m 15s sog-lmp
sog-lmp
7m 15s
Add CubeS₂ 4th-order spline support for charge assignment in SOG Build and upload to PyPI #37: Commit a800452 pushed by Johnsonjz
6m 44s sog-lmp
sog-lmp
6m 44s
Add initial log file for LAMMPS build with GCC 13 Build and upload to PyPI #36: Commit df8329c pushed by Johnsonjz
6m 39s sog-lmp
sog-lmp
6m 39s
Add installation scripts and versioning for deepmd-kit plugin Build and upload to PyPI #35: Commit f34f300 pushed by Johnsonjz
9m 13s sog-lmp
sog-lmp
9m 13s
chore: add DPA-3.3-1M (#5489) Build and upload to PyPI #34: Commit 65c0420 pushed by Johnsonjz
18m 49s devel
devel
18m 49s
Refactor SOGKSpace to inherit from KSpace and integrate FFT functiona… Build and upload to PyPI #33: Commit f3bd2d4 pushed by Johnsonjz
9m 19s sog-lmp
sog-lmp
9m 19s
update for sognet les_model Build and upload to PyPI #32: Commit a100a0e pushed by YuzhiLiu-ai
9m 28s sognet_for_dpa4
sognet_for_dpa4
9m 28s
Enhance SOG KSpace Implementation and Documentation Build and upload to PyPI #31: Commit 12e2fc7 pushed by Johnsonjz
13m 0s sog-lmp
sog-lmp
13m 0s
update for average charge Build and upload to PyPI #30: Commit 04005de pushed by YuzhiLiu-ai
9m 58s sog_NUDFT
sog_NUDFT
9m 58s
fix(pt): Treat cuBLAS allocation failures as PyTorch OOM during auto … Build and upload to PyPI #29: Commit f5c6394 pushed by Johnsonjz
29m 9s devel
devel
29m 9s
update average charge Build and upload to PyPI #28: Commit f338603 pushed by YuzhiLiu-ai
9m 2s auto_grad_avg_chg
auto_grad_avg_chg
9m 2s
add prob charge Build and upload to PyPI #27: Commit 31c6008 pushed by YuzhiLiu-ai
8m 9s prob_charge
prob_charge
8m 9s
add prob charge Build and upload to PyPI #26: Commit ecc1142 pushed by YuzhiLiu-ai
7m 25s prob_charge
prob_charge
7m 25s