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feat(dpa4): add fixed radial presets and improve export correctness
CodeQL
#11377:
Pull request
#6016
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OutisLi
28m 53s
OutisLi:pr/dpa4
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feat(dpa4): add fixed radial presets and improve export correctness
CodeQL
#11376:
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28m 34s
OutisLi:pr/dpa4
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feat(dpa4): add fixed radial presets and improve export correctness
CodeQL
#11375:
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#6016
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OutisLi
28m 47s
OutisLi:pr/dpa4
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28m 47s
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fix(pt): pass PACKED and Wigner strides in the flash-bwd tuning sweep
CodeQL
#11374:
Pull request
#6015
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iProzd
30m 39s
iProzd:0911_fix_dpa4_freeze
iProzd:0911_fix_dpa4_freeze
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feat(pt): add charge density prediction support
CodeQL
#11373:
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23m 40s
YuzhiLiu-ai:density-for-pr
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feat(pt): add charge density prediction support
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#11372:
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feat(pt): add charge density prediction support
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#11371:
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feat(pt): add group_property training for labels defined over multiple frames
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feat(pt): add charge density prediction support
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feat(pt): add charge density prediction support
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feat(pt,pd): exact full-scan output statistics via streaming QR
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#11367:
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anyangml:fix/statfile-compute
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fix(dpmodel): preserve nopbc batch semantics
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feat(pt,pd): exact full-scan output statistics via streaming QR
CodeQL
#11365:
Pull request
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28m 30s
anyangml:fix/statfile-compute
anyangml:fix/statfile-compute
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feat(pt): add charge density prediction support
CodeQL
#11364:
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23m 36s
YuzhiLiu-ai:density-for-pr
YuzhiLiu-ai:density-for-pr
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feat(pt,pd): exact full-scan output statistics via streaming QR
CodeQL
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28m 8s
anyangml:fix/statfile-compute
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feat(pt,pd): exact full-scan output statistics via streaming QR
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#11362:
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2m 28s
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fix(lammps): register native-spin host pair style in plugin
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#11361:
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LOGO127
27m 45s
LOGO127:fix/register-native-spin-host
LOGO127:fix/register-native-spin-host
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feat(pt,pd): exact full-scan output statistics via streaming QR
CodeQL
#11360:
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27m 19s
anyangml:fix/statfile-compute
anyangml:fix/statfile-compute
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feat(pt): add charge density prediction support
CodeQL
#11359:
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28m 27s
YuzhiLiu-ai:density-for-pr
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fix(test): exclude virtual atoms from force and Hessian metrics (#6010)
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[pre-commit.ci] pre-commit autoupdate
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26m 19s
pre-commit-ci-update-config
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feat: add named model presets for DPA4 and DPA4C (#6009)
CodeQL
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29m 21s
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fix(pt): pass device and dtype in SeZMDeNSFittingNet.deserialize (#6006)
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30m 26s
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feat: add named model presets for DPA4 and DPA4C
CodeQL
#11353:
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29m 43s
OutisLi:pr/preset
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