foyer
latest

Getting Started

  • Installation
  • Using foyer with Docker
  • Quickstart

Topic Guides

  • SMARTS-based atomtyping
  • Parameter definitions
  • Applying a force field
  • Usage Examples
  • Examples from Foyer paper

Reference

  • Units
  • Validation of force field files
  • Forcefield Class
  • Citing foyer
  • License
foyer
  • »
  • Index
  • Edit on GitHub

Index

A | C | F | G | I | L | M | N | P | R | S | V

A

  • apply() (foyer.forcefield.Forcefield method)

C

  • combining_rule (foyer.forcefield.Forcefield property)
  • coulomb14scale (foyer.forcefield.Forcefield property)
  • createSystem() (foyer.forcefield.Forcefield method)

F

  • Forcefield (class in foyer.forcefield)

G

  • get_generator() (foyer.forcefield.Forcefield static method)
  • get_parameters() (foyer.forcefield.Forcefield method)

I

  • included_forcefields (foyer.forcefield.Forcefield property)

L

  • lj14scale (foyer.forcefield.Forcefield property)

M

  • map_atom_classes_to_types() (foyer.forcefield.Forcefield method)

N

  • name (foyer.forcefield.Forcefield property)

P

  • parametrize_system() (foyer.forcefield.Forcefield method)

R

  • registerAtomType() (foyer.forcefield.Forcefield method)
  • run_atomtyping() (foyer.forcefield.Forcefield method)

S

  • substitute_wildcards() (foyer.forcefield.Forcefield static method)

V

  • version (foyer.forcefield.Forcefield property)

© Copyright 2014-2020, Vanderbilt University. Revision e94344d2.

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