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LLEPE:用于估计Gibbs最小化的标准热力学参数的工具包
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2021-04-08
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飞艇 LLEPE(液体提取参数估计器)是用于为Gibbs最小化估计标准热力学参数的工具包。 安装 要安装llepe,请使用以下命令克隆存储库 $ git clone https://github.com/ANL-CEEESA/LLEPE.git 使用以下命令导航到LLEPE文件夹 cd LLEPE 并在您的终端中运行以下命令 $ pip install -e. 对于文档和测试,运行 $ pip install -e .[docs,tests] 依存关系 llepe使用软件包:cantera( ),pandas,numpy,scipy,xml,seaborn和matplotlib 用法 在docs / _Examples中查看示例 例子 from llepe import LLEPE opt_dict = { 'Nd(H(A)2)3(org)_h0' : { 'upper_element_
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