cclib: A library for package-independent computational chemistry algorithms
作者： Noel M. O'boyle , Adam L. Tenderholt , Karol M. Langner
DOI: 10.1002/JCC.20823
关键词: Population 、 Computational chemistry 、 Parsing 、 Python (programming language) 、 Algorithm 、 Computer science 、 Computational science 、 Proof of concept
摘要: … Many computational chemistry algorithms are only available to users of a particular … for the development of package-independent computational chemistry algorithms. Files from several …
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