Preview

Fingerprint-main
- LICENSE
  
  35.1 kB
- Makefile
  
  2.4 kB
- README.md
  
  6.4 kB
- data
  - LiAl-hydrate.ascii
    
    859 Bytes
  - benzene.xyz
    
    1.0 kB
  - paracetamol.xyz
    
    1.9 MB
  - perovskite.ascii
    
    7.3 kB
- src
  - fingerprint.f90
    
    70.7 kB
  - fp_distance.f90
    
    6.6 kB
  - fp_for_clusters.f90
    
    6.4 kB
  - fp_for_crystals.f90
    
    6.7 kB
  - fp_simplex.f90
    
    13.9 kB
  - hung.f90
    
    8.6 kB
  - plot_correlation.gnuplot
    
    1.1 kB
  - plot_derivative.gnuplot
    
    341 Bytes
  - plot_derivative_simplex.gnuplot
    
    365 Bytes
  - precision.f90
    
    754 Bytes
  - rot.f90
    
    3.5 kB
  - simplex.f90
    
    20.5 kB
  - test_derivative.f90
    
    6.8 kB
  - test_invariance.f90
    
    5.7 kB
  - test_simplex.f90
    
    8.3 kB