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PT: pass atom_ener to preset_out_bias #3966

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njzjz opened this issue Jul 10, 2024 · 0 comments · Fixed by #4116
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PT: pass atom_ener to preset_out_bias #3966

njzjz opened this issue Jul 10, 2024 · 0 comments · Fixed by #4116
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njzjz commented Jul 10, 2024

It looks PT uses a private argument preset_out_bias to control atomic energy for bias. Users cannot set it. On another side, the atom_ener parameter values will not be passed to preset_out_bias, but it should be the expected behavior.
@njzjz njzjz added the bug label Jul 10, 2024
@wanghan-iapcm wanghan-iapcm linked a pull request Sep 10, 2024 that will close this issue
chore: support preset bias of atomic model output #4116
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@njzjz njzjz closed this as completed Sep 11, 2024
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chore: support preset bias of atomic model output wanghan-iapcm/deepmd-kit
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