Preview

grip
- .examples
  - Cu_210_tilt
    - best_grip_data.csv
      
      437.2 kB
    - best_grip_plot.png
      
      106.7 kB
    - lammps_0.936_0.455_0.97_1.76_1_11_900_1000
      
      74.6 kB
    - lammps_0.951_0.000_0.62_0.01_1_1_900_24000
      
      7.0 kB
    - lammps_0.953_0.857_1.18_2.59_2_7_500_12000
      
      96.0 kB
    - params.yaml
      
      3.4 kB
  - Si_310_twist
    - best_grip_data.csv
      
      934.0 kB
    - best_grip_plot.png
      
      131.7 kB
    - lammps_1.049_0.800_3.17_3.41_1_1_1100_6000
      
      11.0 kB
    - lammps_1.081_0.20_2.91_2.38_1_2_1400_100000
      
      21.3 kB
    - lammps_1.102_0.300_4.44_2.18_1_1_1300_61000
      
      10.7 kB
    - params.yaml
      
      3.3 kB
  - Ti_2130_tilt
    - best_grip_data.csv
      
      119.6 kB
    - best_grip_plot.png
      
      89.9 kB
    - lammps_0.462_0.000_2.51_0.59_2_1_500_7000
      
      12.0 kB
    - lammps_0.508_0.500_2.06_2.51_2_1_700_20000
      
      12.1 kB
    - params.yaml
      
      3.4 kB
  - W_310_twist
    - best_grip_data.csv
      
      337.5 kB
    - best_grip_plot.png
      
      180.4 kB
    - lammps_2.297_0.200_0.59_0.60_1_1_1100_3000
      
      18.9 kB
    - lammps_2.469_0.400_5.56_5.36_2_1_1300_6000
      
      37.7 kB
    - params.yaml
      
      3.3 kB
  - sample_slurm_submit.sh
    
    294 Bytes
- LICENSE
  
  1.1 kB
- POSCAR_LOWER
  
  5.8 kB
- POSCAR_UPPER
  
  5.8 kB
- README.md
  
  4.1 kB
- core
  - __init__.py
    
    0 Bytes
  - __pycache__
    - __init__.cpython-38.pyc
      
      149 Bytes
    - bicrystal.cpython-38.pyc
      
      18.9 kB
    - interstitial.cpython-38.pyc
      
      1.7 kB
    - simulation.cpython-38.pyc
      
      9.0 kB
  - bicrystal.py
    
    21.4 kB
  - interstitial.py
    
    1.2 kB
  - simulation.py
    
    11.6 kB
- main.py
  
  5.5 kB
- params.yaml
  
  3.7 kB
- simul_files
  - lammps.in_1
    
    1.8 kB
  - lammps.in_2
    
    2.5 kB
- utils
  - __init__.py
    
    0 Bytes
  - __pycache__
    - __init__.cpython-38.pyc
      
      150 Bytes
    - constants.cpython-38.pyc
      
      195 Bytes
    - unique.cpython-38.pyc
      
      4.3 kB
    - utils.cpython-38.pyc
      
      11.0 kB
  - clean.sh
    
    63 Bytes
  - constants.py
    
    35 Bytes
  - plot_gco.py
    
    2.5 kB
  - tests.py
    
    182 Bytes
  - unique.py
    
    6.3 kB
  - utils.py
    
    15.2 kB

GRIP_snapshot.zip