Replaces final files for each temperature with a single -final file, with the same naming conventions as -traj and -stats files, as well as an option to define the name of this file similarly via final_file (--final-file).
What were previously individual -final files are accessible through reading a specific index from the combined file.
Each structure has the associated temperature (and pressure) that was previously in the file names stored as info.
Resolves #198
-finalfile, with the same naming conventions as-trajand-statsfiles, as well as an option to define the name of this file similarly viafinal_file(--final-file).What were previously individual
-finalfiles are accessible through reading a specific index from the combined file.Each structure has the associated temperature (and pressure) that was previously in the file names stored as
info.