MEASURE

1. Introduction

The following is a reference to the application programming interface (API) used within MEASURE. If you are a developer wishing to know the full implementation details of MEASURE - e.g. if you are trying to modify the codebase - this document is for you. If you are simply trying to learn how to generate phenomenological rate coefficients with MEASURE, you should switch to the MEASURE Users’ Guide. If you want to know the mathematical basis for the master equation methods used by measure, you should read the MEASURE Theory Guide. (In fact, if you haven’t already, you may wish to read these documents first before continuing.)

The source for MEASURE is split across a number of Python and Cython modules. Each section of the developers’ guide references a different module:

Module Description
measure.input Reading network data from input files
measure.network Representing network data in memory
measure.collision Working with collision models and parameters
measure.reaction Working with microcanonical and phenomenological rate coefficients
measure.msc Determining k(T,P) via the modified strong collision method
measure.rs Determining k(T,P) via the reservoir state method
measure.output Writing network data to input and output files
measure.settings Setting application-wide options

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2. measure.input - Input file reading

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