Python code to generate Lennard-Jones parameters for combustion and detonation modeling of energetic materials
Input: Coordinates of the molecule in .xyz format
Output: Lennard-Jones collision diameter and well depth
-
Notifications
You must be signed in to change notification settings - Fork 1
LalitPatidar/transpy
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Python code to generate Lennard-Jones parameters for combustion and detonation modeling
Topics
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published