v1.8.0

New This Version

• Accompanied by the release of Visual TransRot (VTR), an accompanying graphical user interface and process manager for TransRot
• All input files (config.txt, dbase.txt, Input.xyz) as well as output location can be configured on a per-run basis using command-line arguments
• All output non-movie .xyz files can now be used directly as Input.xyz with no modifications
• Added elapsed_time.log output file, which tracks a calculation's total elapsed time (used specifically for VTR)

Bugfixes/Changes:

• Fixed error where configurational heat capacities were reported as negative by altering their calculation
• Fixed inconsistency between particle definitions in dbase.txt and their use in config.txt by updating config requirements to separate particles and their counts to at least two spaces
• Changed Input.xyz particle definition format (line 2) in order remove ambiguity
  • Format for 4 Cl- ions and 4 NH4+ molecules is: 4 Cl- | 4 NH4+
• Reformatted all error messages to use System.err to allow for separate redirection for logs and errors