v1.4

• Minor changes to repository layout
• Inclusion of bash files for compilation with ifort and ifx.

v1.3

Main new features (see use_code.md file in root directory)

• orientational correlation of changing species using the special pair
• special pair correlation function (SPCF) as a measure of charge transfer

Main modifications with respect to previous version

• Re-structure of the computation of selected NN. File DISTANCE_SHORTEST_PAIR was replaced by SELECTED_NN_DISTANCES
• Prevent by default the printing of results for the multiple time intervals. The print_all_intervals is set to False by default. If True, the file with the suffix _ALL is generated, depending on the quantity under consideration.
• AVG files modified. Now, they only contain time, value and STD.
• Improvements in the statistical analysis of quantities condition by the &data_analysis block

v1.2

Main new features:

• Distribution probability of the shortest distance for a selected pair of species
• Probability density for a selected atomic species along x, y or z
• Statistics for intramolecular and intermolecular angles and distances of monitored species

v1.1

This is the first ever release of the code in GitHub.
Please refer to the use_code.md file for a description of the implemented functionalities.