Preview

script_files
- conv.sh
  
  1.7 kB
- delaunaly_volume_errors.py
  
  5.1 kB
- delaunaly_volume_onlywater_B3LYP.py
  
  2.6 kB
- delaunaly_volume_onlywater_PBE.py
  
  2.9 kB
- delta_f.py
  
  4.0 kB
- driver.sh
  
  1.3 kB
- driver_template.dat
  
  893 Bytes
- entropy.py
  
  4.0 kB
- gr_Al-Ox_zeolites.py
  
  3.8 kB
- plots
  - images
    - cha_fess_h.pdf
      
      262.1 kB
    - clusterSize_vs_nH2O.png
      
      114.7 kB
    - deltaF+rescale.pdf
      
      21.5 kB
    - deltaF+rescale_vertical.png
      
      216.6 kB
    - fau_fess_h.pdf
      
      288.6 kB
    - gis_fess_h.pdf
      
      199.9 kB
    - gr.pdf
      
      34.9 kB
    - int_gr_al_ox.pdf
      
      47.2 kB
    - mfi_fess_h.pdf
      
      243.0 kB
    - plot_ox_ox_gr_water_clusters.pdf
      
      23.9 kB
    - u+s_fit_vertical.png
      
      141.9 kB
  - plot_deltaF_vertical.py
    
    1.5 kB
  - plot_fes_hor_cha.py
    
    3.7 kB
  - plot_fes_hor_fau.py
    
    3.7 kB
  - plot_fes_hor_gis.py
    
    3.8 kB
  - plot_fes_hor_mfi.py
    
    3.7 kB
  - plot_gr_Al_Ox.py
    
    1.5 kB
  - plot_ox_ox_gr_water_clusters.py
    
    1.0 kB
  - plot_probability.py
    
    2.5 kB
  - plot_sizes_err.py
    
    802 Bytes
  - plot_u+s_vertical.py
    
    3.2 kB
  - table_probability.py
    
    3.7 kB
- rescale_ener.py
  
  840 Bytes
- reweight_template.dat
  
  970 Bytes