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Feat (pt): Expose Linear Ener Model #4194

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merged 31 commits into from
Oct 11, 2024
Merged

Feat (pt): Expose Linear Ener Model #4194

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e906fac
fix: zbl mix type model
anyangml Oct 8, 2024
91cf861
feat: add linear model
anyangml Oct 8, 2024
7d3044c
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 8, 2024
082ab74
fix: dftd3 example
anyangml Oct 8, 2024
0104e18
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 8, 2024
21580e1
feat: add pt example
anyangml Oct 8, 2024
08fcb55
fix: jit
anyangml Oct 8, 2024
739670e
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 8, 2024
0522562
feat: add UTs
anyangml Oct 8, 2024
8b1cb8c
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 8, 2024
f2753e7
fix: UTs
anyangml Oct 8, 2024
63e7017
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 8, 2024
0514eae
fix: UTs
anyangml Oct 8, 2024
f41df5b
fix: sel type UT
anyangml Oct 8, 2024
000c1c8
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 8, 2024
189961c
fix: UT sel type dtype to long
anyangml Oct 8, 2024
9715641
fix: revert dtype change
anyangml Oct 8, 2024
c8e86fe
fix: revert ut change
anyangml Oct 8, 2024
a935784
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 8, 2024
169203b
Merge branch 'devel' into feat/expose-linear-model
anyangml Oct 9, 2024
b664e55
fix: rename, fix UT device
anyangml Oct 9, 2024
8f06bb5
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 9, 2024
af16e65
change get_sel_type dtype to int64
anyangml Oct 9, 2024
34e3c97
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 9, 2024
34843a6
feat: add test training
anyangml Oct 9, 2024
1579a7e
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 9, 2024
11350e2
fix: revert changes
anyangml Oct 9, 2024
5b5e948
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 9, 2024
576c289
fix: update zbl example descriptor
anyangml Oct 10, 2024
5e34b9c
Merge branch 'devel' into feat/expose-linear-model
anyangml Oct 10, 2024
d3b3342
feat: add linear example
anyangml Oct 10, 2024
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2 changes: 1 addition & 1 deletion examples/water/zbl/input.json
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Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@
"H"
],
"descriptor": {
"type": "se_e2_a",
"type": "se_atten",
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"sel": [
46,
92
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