foyer
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SMARTS-based atomtyping
Parameter definitions
Atom-typing Options
Usage Examples
Paper Examples
Validation of force field files
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A
|
C
|
F
|
R
A
apply() (foyer.forcefield.Forcefield method)
C
createSystem() (foyer.forcefield.Forcefield method)
F
Forcefield (class in foyer.forcefield)
R
registerAtomType() (foyer.forcefield.Forcefield method)
run_atomtyping() (foyer.forcefield.Forcefield method)
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