ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
Class Index
a
|
b
|
c
|
e
|
f
|
g
|
h
|
i
|
l
|
m
|
n
|
o
|
p
|
q
|
r
|
s
|
t
|
v
a
Evaluator_SMIRNOFF
(
src.evaluator_io
)
LineChunker
(
src.nifty
)
OptGeoTarget
(
src.opt_geo_target
)
SMIRNOFF_Reader
(
src.smirnoffio
)
f
Lipid
(
src.lipid
)
OptGeoTarget_SMIRNOFF
(
src.smirnoffio
)
t
AbInitio
(
src.abinitio
)
Lipid_GMX
(
src.gmxio
)
Optimizer
(
src.optimizer
)
AbInitio_AMBER
(
src.amberio
)
FF
(
src.ffyapf
)
Liquid
(
src.liquid
)
Evaluator_SMIRNOFF.OptionsFile
(
src.evaluator_io
)
Target
(
src.target
)
AbInitio_GMX
(
src.gmxio
)
FF
(
src.forcefield
)
Liquid_AMBER
(
src.amberio
)
p
THCDF_Psi4
(
src.psi4io
)
AbInitio_Internal
(
src.abinitio_internal
)
ForceBalanceLogger
(
src.output
)
Liquid_GMX
(
src.gmxio
)
Thermo
(
src.thermo
)
AbInitio_SMIRNOFF
(
src.smirnoffio
)
FrcMod_Reader
(
src.amberio
)
Liquid_SMIRNOFF
(
src.smirnoffio
)
Penalty
(
src.objective
)
Thermo_GMX
(
src.gmxio
)
AbInitio_TINKER
(
src.tinkerio
)
g
Liquid_TINKER
(
src.tinkerio
)
Point
(
src.thermo
)
TINKER
(
src.tinkerio
)
ActuallyArcError
(
src.molecule
)
m
PrmtopLoader
(
src.amberio
)
Tinker_Reader
(
src.tinkerio
)
AMBER
(
src.amberio
)
GBS_Reader
(
src.psi4io
)
q
TorsionProfileTarget
(
src.torsion_profile
)
b
Gen_Reader
(
src.custom_io
)
ModLogger
(
src.output
)
TorsionProfileTarget_SMIRNOFF
(
src.smirnoffio
)
GMX
(
src.gmxio
)
mol2
(
src.Mol2
)
QCIn_Reader
(
src.qchemio
)
v
BackedUpDict
(
src.ffyapf
)
Grid_Reader
(
src.psi4io
)
mol2_atom
(
src.Mol2
)
Quantity
(
src.quantity
)
BackedUpDict
(
src.forcefield
)
h
mol2_bond
(
src.Mol2
)
Quantity_Density
(
src.quantity
)
VersioneerConfig
(
src._version
)
BaseClass
(
src
)
Mol2_Reader
(
src.amberio
)
Quantity_H_vap
(
src.quantity
)
Vibration
(
src.vibration
)
BaseReader
(
src
)
Hydration
(
src.hydration
)
mol2_set
(
src.Mol2
)
r
Vibration_AMBER
(
src.amberio
)
BindingEnergy
(
src.binding
)
i
Molecule
(
src.molecule
)
Vibration_GMX
(
src.gmxio
)
BindingEnergy_GMX
(
src.gmxio
)
MolfileTimestep
(
src.molecule
)
RawFileHandler
(
src.output
)
Vibration_SMIRNOFF
(
src.smirnoffio
)
BindingEnergy_TINKER
(
src.tinkerio
)
Interaction
(
src.interaction
)
Moments
(
src.moments
)
RawFileHandler
(
src.nifty
)
Vibration_TINKER
(
src.tinkerio
)
c
Interaction_AMBER
(
src.amberio
)
Moments_GMX
(
src.gmxio
)
RawStreamHandler
(
src.nifty
)
Interaction_GMX
(
src.gmxio
)
Moments_TINKER
(
src.tinkerio
)
RawStreamHandler
(
src.molecule
)
CleanFileHandler
(
src.output
)
Interaction_TINKER
(
src.tinkerio
)
n
RawStreamHandler
(
src.output
)
CleanStreamHandler
(
src.output
)
ITP_Reader
(
src.gmxio
)
RDVR3_Psi4
(
src.psi4io
)
Counterpoise
(
src.counterpoise
)
l
NotThisMethod
(
src._version
)
RemoteTarget
(
src.target
)
e
o
s
LeastSquares
(
src.leastsq
)
Engine
(
src.engine
)
Objective
(
src.objective
)
SMIRNOFF
(
src.smirnoffio
)
a
|
b
|
c
|
e
|
f
|
g
|
h
|
i
|
l
|
m
|
n
|
o
|
p
|
q
|
r
|
s
|
t
|
v
Generated on Thu Jul 9 2020 11:51:12 for ForceBalance API by
1.8.13