white-charles/calculate-defect-numbers-in-displacement-damage

This is a python script that can be used in ovito to calculate defect numbers in displacement damage

Calculate-defect-numbers-in-displacement-damage

Description: These two python scripts can be used in OVITO to calculate defect numbers and their coordinates in displacement damage.

Files explanation

- The two dump files(dump.irradiation dump.start) are results of lammps. Just ignore the last three columns of these two files, we only focus on the coordinates of all atoms!
- As for two python scripts, one(Calculate the number of defects.py) is to calculate the number and one(A_vacancy_position.py)is to calculate position of defects!
- The other three files are the defect number results of two python scripts
- Remebmer that calculating number can used for more than one type of defect, however,calculation position can be used for only one type of defect. It's just a limit of ovito software.