GhostFragment
0.0.1

Contents:

  • Theoretical Background
    • Fragment Based Methods
    • The Many-Body Expansion
    • Basis Set Superposition Error
    • Established Fragment Based Methods
    • Algorithms for Fragment-Based Methods
      • Fragmentation Algorithms
        • FEA Fragmentation Method
        • MFCC Fragmentation Method
        • Molecular Tailoring Approach Fragmentation
        • Systematic Molecular Fragmentation Fragmentation Method
        • Divide and Conquer Local Correlation Fragmentation Method
        • GEBF Fragmentation Methods
        • Other Fragmentation Algorithms
      • Capping Methods
      • Embedding Algorithms
      • Screening Methods
    • Difference between fragments and n-mers?
    • Terminology Used Throughout GhostFragment
  • Developer Documentation
  • References
  • Modules API
  • C++ API
GhostFragment
  • Theoretical Background
  • Algorithms for Fragment-Based Methods
  • Fragmentation Algorithms
  • Edit on GitHub

Fragmentation Algorithms

The first step of every fragment-based method is to define some fragments. For large systems manually defining fragments is a chore and a plethora of algorithms for automatically defining fragments have been proposed.

Contents:

  • FEA Fragmentation Method
  • MFCC Fragmentation Method
  • Molecular Tailoring Approach Fragmentation
    • MTA03 Fragmentation
    • MTA06 Fragmentation
  • Systematic Molecular Fragmentation Fragmentation Method
    • SMF Fragmentation 05
    • Ring Repair Variation
  • Divide and Conquer Local Correlation Fragmentation Method
  • GEBF Fragmentation Methods
    • GEBF07 Fragmentation Method
    • GEBF08 Fragmentation Method
    • GEBF10 Fragmentation Method
    • GEBF12 Fragmentation Method
    • GEBF14 Fragmentation Method
    • GEBF19 Fragmentation Method
  • Other Fragmentation Algorithms
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© Copyright 2020, Ryan M Richard.

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