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__MACOSX
- trajectories_analysis_scripts
  - ._.DS_Store
    
    120 Bytes
  - ._AH_02_25-001-1
    
    220 Bytes
  - ._AH_02_25-002-1
    
    220 Bytes
  - ._AH_02_25-003-1
    
    220 Bytes
  - ._XRD_methods.py
    
    276 Bytes
  - ._batch.py
    
    220 Bytes
  - ._batch_ITIM_electron_density.py
    
    220 Bytes
  - ._batch_RDF_analysis.py
    
    220 Bytes
  - ._batch_XRD_analysis.py
    
    220 Bytes
  - ._batch_XRD_plotter.py
    
    220 Bytes
  - ._batch_XRD_setup.py
    
    220 Bytes
  - ._batch_bond_angle_dist.py
    
    220 Bytes
  - ._batch_distance_time.py
    
    220 Bytes
  - ._batch_maicos_analysis.py
    
    220 Bytes
  - ._batch_methods.py
    
    220 Bytes
  - ._bond_angles_dist.py
    
    220 Bytes
  - ._charges.py
    
    220 Bytes
  - ._density.py
    
    220 Bytes
  - ._universe.py
    
    276 Bytes
  - ._utilities.py
    
    370 Bytes
  - AH_02_25-001-1
    - ._.DS_Store
      
      120 Bytes
    - ._centered_smaller.xtc
      
      276 Bytes
    - checkpoints
      - ._.DS_Store
        
        120 Bytes
      - ._data.nvt.data
        
        276 Bytes
    - reax_data
      - ._.DS_Store
        
        120 Bytes
  - AH_02_25-002-1
    - ._.DS_Store
      
      120 Bytes
    - checkpoints
      - ._.DS_Store
        
        120 Bytes
      - ._data.nvt.data
        
        276 Bytes
    - reax_data
      - ._.DS_Store
        
        120 Bytes
  - AH_02_25-003-1
    - ._.DS_Store
      
      120 Bytes
    - ._centered_smaller.xtc
      
      276 Bytes
    - checkpoints
      - ._.DS_Store
        
        120 Bytes
      - ._data.nvt.data
        
        276 Bytes
    - reax_data
      - ._.DS_Store
        
        120 Bytes
  - Fh_relaxed
    - ._.DS_Store
      
      120 Bytes
    - ._data.npt1.data
      
      276 Bytes
trajectories_analysis_scripts
- .DS_Store
  
  14.3 kB
- AH_02_25-001-1
  - .DS_Store
    
    8.2 kB
  - .centered_smaller-5.xtc_offsets.lock
    
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  - .centered_smaller-5.xtc_offsets.npz
    
    1.7 kB
  - .centered_smaller.xtc_offsets.lock
    
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  - .centered_smaller.xtc_offsets.npz
    
    1.7 kB
  - .unwrapped_centered_smaller.xtc_offsets.npz
    
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  - .unwrapped_smaller.xtc_offsets.lock
    
    0 Bytes
  - .unwrapped_smaller.xtc_offsets.npz
    
    1.7 kB
  - centered_smaller.xtc
    
    3.3 MB
  - checkpoints
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      6.1 kB
    - data.nvt.data
      
      1.5 MB
  - nvt.lammpstrj
    
    361.4 kB
  - reax_data
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      6.1 kB
    - bonds.reaxff_1.dat
      
      1.7 MB
    - bonds.reaxff_2.dat
      
      2.6 MB
    - bonds.reaxff_3.dat
      
      3.4 MB
  - unwrapped_centered_smaller.xtc
    
    3.5 MB
- AH_02_25-002-1
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  - .centered_smaller-5.xtc_offsets.lock
    
    0 Bytes
  - .centered_smaller-5.xtc_offsets.npz
    
    2.3 kB
  - .centered_smaller.xtc_offsets.lock
    
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  - .centered_smaller.xtc_offsets.npz
    
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  - .centered_unwrapped_25-002-1.xtc_offsets.lock
    
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  - .unwrapped_smaller.xtc_offsets.npz
    
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  - centered_smaller.xtc
    
    6.1 MB
  - checkpoints
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      6.1 kB
    - data.nvt.data
      
      1.5 MB
  - reax_data
    - .DS_Store
      
      6.1 kB
    - bonds.reaxff_1.dat
      
      1.7 MB
    - bonds.reaxff_2.dat
      
      2.6 MB
    - bonds.reaxff_3.dat
      
      3.5 MB
  - unwrapped_centered_smaller.xtc
    
    6.5 MB
- AH_02_25-003-1
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  - .centered_smaller-5.xtc_offsets.lock
    
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  - .centered_smaller-5.xtc_offsets.npz
    
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  - .centered_smaller.xtc_offsets.lock
    
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  - .centered_smaller.xtc_offsets.npz
    
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  - .unwrapped_centered_smaller.xtc_offsets.npz
    
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  - .unwrapped_smaller.xtc_offsets.npz
    
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  - centered_smaller.xtc
    
    6.0 MB
  - checkpoints
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      6.1 kB
    - data.nvt.data
      
      1.5 MB
  - reax_data
    - .DS_Store
      
      6.1 kB
    - bonds.reaxff_1.dat
      
      2.6 MB
    - bonds.reaxff_2.dat
      
      2.6 MB
    - bonds.reaxff_3.dat
      
      3.5 MB
  - unwrapped_centered_smaller.xtc
    
    6.4 MB
- Fh_relaxed
  - .DS_Store
    
    6.1 kB
  - .data.xtc_offsets.npz
    
    1.0 kB
  - data.npt1.data
    
    458.6 kB
  - log.lammps
    
    2.7 kB
- XRD_methods.py
  
  6.8 kB
- batch.py
  
  3.2 kB
- batch_ITIM_electron_density.py
  
  6.4 kB
- batch_RDF_analysis.py
  
  3.4 kB
- batch_XRD_analysis.py
  
  152 Bytes
- batch_XRD_plotter.py
  
  796 Bytes
- batch_XRD_setup.py
  
  5.3 kB
- batch_bond_angle_dist.py
  
  2.8 kB
- batch_distance_time.py
  
  3.8 kB
- batch_maicos_analysis.py
  
  6.9 kB
- batch_methods.py
  
  15.1 kB
- bond_angles_dist.py
  
  5.5 kB
- charges.py
  
  5.0 kB
- density.py
  
  4.4 kB
- universe.py
  
  12.3 kB
- utilities.py
  
  6.8 kB

trajectories_analysis_scripts.zip