This folder contains all the source code and header files to compile our implementation of Contact Cluster Monte Carlo (CCMC).

Check the makeMC.sh file and ensure that you have the correct name for your C++ compiler. Then run makeMC.sh (using the command "bash makeMC.sh") to produce the cmmc executable.

The associated phaseA/phaseF files identify specific geometric motifs in cobalt succinate MOF structures. The main code, however, is fully general.

The cmmc executable expects to be run with a single argument, which is the name of the configuration file controlling the run options. Examples of configuration files are provided in the folder CMMC-InputsAndConfigExamples.
