concentrations.pl / concentrations-same.pl

Table of Contents

Name

concentrations.pl, concentrations-same.pl - extract and normalize mole fractions

Synopsis

concentrations.pl PREFIX
concentrations-same.pl PREFIX

Description

concentrations.pl reads PREFIX.conc (written by concentration) and normalizes the concentrations of each species. The raw concentration of each species is divided by the sum of the concentrations so that the sum of A, B, AA, BB and AB is 1.

concentrations-same.pl reads a file written by concentration-same and writes PREFIX.A, PREFIX.Au, PREFIX.Af and PREFIX.AA.

It is recommended to use hybrid2.pl to run hybrid, hybrid-ss, concentration, concentrations.pl and ensemble-dg and ensemble-ext instead of running concentrations.pl directly.


Table of Contents