Initial Commit of Python Codes for processing Transition-matrix Monte Carlo simulation output.
Removed extraneous code from Reweight_lnPi.py
Removed unnecessary import directives from Reweight_lnPi.py
Large batch of changes: Moved reading of CSV files to own file, moved XML parse routine to own file, added a "shift" option to the normalization routine, changed to Python3 style format statements for output.
Altered XML metadata read routine to have optional "absolute" units convention.
Updated NVT_EOS.py to use XML metadata read routine with "absolute" units convention.
Updated muVT_VLE.py 1) to use new XML Parse routine; 2) accept absolute units for input and output; 3) updated to Python3 formatted outputs; 4) added final call to Bulk_Calculate_Properties.
Changed muVT_VLE.py to output the saturation lnZ (log activity) instead of kB*lnZ. Modified output file column headers to recognize this change.
updated muVT_VLE.py to read a guess of lnZ from the optional helper data, instead of a guess of mu*.
updated muVT_VLE.py to output temperature or reduced temperature in the screen and file output. I thought this was important because it provides the necessary information to compute fugacity from the temperature and log activity.
Fixed bug in muVT_VLE.py in "helper data" section. Needed to handle variables correctly for reduced vs. absolute units.
Updated time stamp in muVT_VLE.py