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fix bugs in 1223#401

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maorz1998 merged 1 commit intodeepmodeling:GPU-devfrom
maorz1998:GPU-dev
Dec 23, 2023
Merged

fix bugs in 1223#401
maorz1998 merged 1 commit intodeepmodeling:GPU-devfrom
maorz1998:GPU-dev

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Note that the implementation of the mix model in the correctThermo section is not fully consistent between the CPU and GPU version at present. If a comparison of results is necessary, it is important to ensure alignment in the implementation of both.

@maorz1998 maorz1998 merged commit f43d51f into deepmodeling:GPU-dev Dec 23, 2023
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