eFF_simulation_of_proton_motion_in_H2
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https://data.mendeley.com/datasets/hrnj8m65pm
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资源简介：
Here you can find three directories containing similar files for three different proton energies (10, 60, and 120 keV).
The files used by LAMMPS: in.h2 (task parameters), data.conf.$i.h2 (supercells).
Python scripts: sp_rw_v2.0.py (stopping power), hero_cut.py (to cut *.traj file for faster further treatment), and all 3 files in ./traj_container subdirectory (calculation of a spectrum).
Examples: dissipath.dat (calculated total stopping power), dissipath_list.dat (drop of the proton energy with the path).
创建时间：
2023-07-24
