foyer
0.8.0
Installation
Using foyer with Docker
SMARTS-based atomtyping
Parameter definitions
Atom-typing Options
Usage Examples
Paper Examples
Validation of force field files
Citing foyer
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Index
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Index
A
|
C
|
F
|
G
|
M
|
R
A
apply() (foyer.forcefield.Forcefield method)
C
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)
M
map_atom_classes_to_types() (foyer.forcefield.Forcefield method)
R
registerAtomType() (foyer.forcefield.Forcefield method)
run_atomtyping() (foyer.forcefield.Forcefield method)
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v: 0.8.0
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0.7.6
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