peteboyd/faps_analysis
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|
Repository files navigation
=== ANALYSIS.PY ===
Author: Peter Boyd
Description: This code was written to analyse the output of a series of grand
canonical monte carlo simulations as run by the wrapper program "faps"
This program has a series of tools which can produce or interpret datasets of
MOFs. The main utilities are to produce a dataset of randomly selected MOFs
or to compile a report on some MOFs which have been evaluated for their
CO2 uptake.