5. Parsing Output Files

The syntax of MEASURE output files closely mirrors that of the input files. The output files contain two sections:

• The first section contains all of the species involved in the reaction network, including the bath gas(es), as species() blocks. This is largely a reproduction of the same section of the input file.
• The second section contains all of the path reactions - reactions between any pair of molecular configurations on the potential energy surface, not just those directly adjacent - as pdepreaction() blocks. The parameters of each pdepreaction() block match those of the reaction() block from the input file, except that no transition state data is given and the kinetics are by definition pressure-dependent.

The examples directory contains both MEASURE input files and the resulting output files.