foyer
0.9.2
Installation
Units
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
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C
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F
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G
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I
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L
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M
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N
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P
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R
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S
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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)
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v: 0.9.2
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