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update weighted hamil loss #215

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merged 5 commits into from
Dec 23, 2024
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floatingCatty
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This loss is modified based on HamillossBLAS.
The user can optionally provide a weight which can be an int/float scalar or a list of int/float numbers corresponding to the weight of each onsite atom, and bond hopping pairs.

@@ -751,6 +751,11 @@ def loss_options():
Argument("onsite_shift", bool, optional=True, default=False, doc="Whether to use onsite shift in loss function. Default: False"),
]

wt = [
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这个 wt 怎么用呢? 用list 指定不同的权重。但是list的顺序和键的顺序,以及原子类型的顺序是无法提前知道的啊?

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我改一下写成字典

@QG-phy QG-phy merged commit 5307de2 into deepmodeling:main Dec 23, 2024
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