ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
- e -
e_ctr :
src.abinitio.AbInitio
e_err :
src.abinitio.AbInitio
,
src.interaction.Interaction
e_err_pct :
src.abinitio.AbInitio
,
src.interaction.Interaction
e_ref :
src.abinitio.AbInitio
e_trm :
src.abinitio.AbInitio
element :
src.psi4io.GBS_Reader
,
src.psi4io.Grid_Reader
elements :
src.psi4io.RDVR3_Psi4
Elements :
src.psi4io.THCDF_Psi4
emm :
src.interaction.Interaction
emm_orig :
src.torsion_profile.TorsionProfileTarget
energy_asymmetry :
src.abinitio.AbInitio
energy_part :
src.binding.BindingEnergy
engine :
src.abinitio.AbInitio
,
src.interaction.Interaction
,
src.moments.Moments
,
src.torsion_profile.TorsionProfileTarget
,
src.vibration.Vibration
engine_ :
src.amberio.AbInitio_AMBER
,
src.amberio.Interaction_AMBER
,
src.amberio.Liquid_AMBER
,
src.amberio.Vibration_AMBER
,
src.gmxio.AbInitio_GMX
,
src.gmxio.BindingEnergy_GMX
,
src.gmxio.Interaction_GMX
,
src.gmxio.Lipid_GMX
,
src.gmxio.Liquid_GMX
,
src.gmxio.Moments_GMX
,
src.gmxio.Thermo_GMX
,
src.gmxio.Vibration_GMX
,
src.smirnoffio.AbInitio_SMIRNOFF
,
src.smirnoffio.Liquid_SMIRNOFF
,
src.smirnoffio.OptGeoTarget_SMIRNOFF
,
src.smirnoffio.TorsionProfileTarget_SMIRNOFF
,
src.smirnoffio.Vibration_SMIRNOFF
,
src.tinkerio.AbInitio_TINKER
,
src.tinkerio.BindingEnergy_TINKER
,
src.tinkerio.Interaction_TINKER
,
src.tinkerio.Liquid_TINKER
,
src.tinkerio.Moments_TINKER
,
src.tinkerio.Vibration_TINKER
engine_opts :
src.hydration.Hydration
engines :
src.binding.BindingEnergy
,
src.hydration.Hydration
,
src.smirnoffio.OptGeoTarget_SMIRNOFF
engname :
src.amberio.Liquid_AMBER
,
src.gmxio.Lipid_GMX
,
src.gmxio.Liquid_GMX
,
src.gmxio.Thermo_GMX
,
src.lipid.Lipid
,
src.liquid.Liquid
,
src.quantity.Quantity
,
src.quantity.Quantity_Density
,
src.quantity.Quantity_H_vap
,
src.smirnoffio.Liquid_SMIRNOFF
,
src.tinkerio.Liquid_TINKER
eqm :
src.abinitio.AbInitio
,
src.interaction.Interaction
,
src.torsion_profile.TorsionProfileTarget
esp_ctr :
src.abinitio.AbInitio
esp_err :
src.abinitio.AbInitio
esp_err_pct :
src.abinitio.AbInitio
esp_ref :
src.abinitio.AbInitio
esp_trm :
src.abinitio.AbInitio
espval :
src.abinitio.AbInitio
espxyz :
src.abinitio.AbInitio
estimation_options :
src.evaluator_io.Evaluator_SMIRNOFF.OptionsFile
evaluated :
src.target.Target
excision :
src.ffyapf.FF
,
src.forcefield.FF
,
src.optimizer.Optimizer
experr :
src.hydration.Hydration
expval :
src.hydration.Hydration
extra_output :
src.amberio.Liquid_AMBER
,
src.gmxio.Lipid_GMX
,
src.gmxio.Liquid_GMX
,
src.hydration.Hydration
,
src.lipid.Lipid
,
src.liquid.Liquid
,
src.smirnoffio.Liquid_SMIRNOFF
,
src.tinkerio.Liquid_TINKER
Generated on Thu Jul 9 2020 11:51:12 for ForceBalance API by
1.8.13