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README.md

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@@ -67,25 +67,25 @@ Gu, Qiangqiang, et al. "DeePTB: A deep learning-based tight-binding approach wit
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## Full Dependencies
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python = ">=3.8"
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pytest = ">=7.2.0"
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pytest-order = "1.2.0"
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numpy = "*"
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scipy = "1.9.1"
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spglib = "*"
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matplotlib = "*"
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torch = ">=1.13.0"
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ase = "*"
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pyyaml = "*"
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future = "*"
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dargs = "0.4.4"
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xitorch = "0.3.0"
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fmm3dpy = "1.0.0"
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e3nn = ">=0.5.1"
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torch-runstats = "0.2.0"
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torch_scatter = "2.1.2"
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torch_geometric = ">=2.4.0"
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opt-einsum = "3.3.0"
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h5py = "3.7.0"
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lmdb = "1.4.1"
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- python = ">=3.8"
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- pytest = ">=7.2.0"
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- pytest-order = "1.2.0"
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- numpy = "*"
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- scipy = "1.9.1"
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- spglib = "*"
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- matplotlib = "*"
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- torch = ">=1.13.0"
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- ase = "*"
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- pyyaml = "*"
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- future = "*"
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- dargs = "0.4.4"
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- xitorch = "0.3.0"
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- fmm3dpy = "1.0.0"
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- e3nn = ">=0.5.1"
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- torch-runstats = "0.2.0"
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- torch_scatter = "2.1.2"
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- torch_geometric = ">=2.4.0"
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- opt-einsum = "3.3.0"
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- h5py = "3.7.0"
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- lmdb = "1.4.1"
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