1、Cantera Cantera升级到2.4.0版本,Python升级到3.8.1。 2、CASTEP 在CASTEP的弹性常数计算结果中加入了Niu等(2019)的材料断裂韧度估算经验模型,预测脆性材料性质。CASTEP现可计算孤立分子的溶剂化能。在CASTEP中实现了二次谐波产生系数张量的计算,有助于开发非线性光学材料。CASTEP中增加了
Explore and run machine learning code with Kaggle Notebooks | Using data from Parkinson's Freezing of Gait Prediction
CMake files pass style checks, can be fixed by running run-cmake-format.py from the root of the repository. This requires Python 3 andcmake_format(note: this currently does not work on Windows) Use autoformattercmake-format.pyandrun-cmake-format.py ...