Skip to content

v1.3
Compare
Choose a tag to compare
@ivan-scivetti ivan-scivetti released this 17 May 21:37
· 4 commits to main since this release
v1.3
c9bbcc0

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
Assets 2
Loading