ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
- f -
f_ctr :
src.abinitio.AbInitio
f_err :
src.abinitio.AbInitio
f_err_pct :
src.abinitio.AbInitio
f_ref :
src.abinitio.AbInitio
f_trm :
src.abinitio.AbInitio
factor :
src.psi4io.RDVR3_Psi4
fadd :
src.objective.Penalty
failmsg :
src.optimizer.Optimizer
FF :
src.engine.Engine
,
src.objective.Objective
,
src.objective.Penalty
,
src.optimizer.Optimizer
,
src.target.Target
FFAtomTypes :
src.ffyapf.FF
,
src.forcefield.FF
ffdata :
src.ffyapf.FF
,
src.forcefield.FF
ffdata_isxml :
src.ffyapf.FF
,
src.forcefield.FF
FFMolecules :
src.ffyapf.FF
,
src.forcefield.FF
ffpd :
src.target.Target
fitatoms :
src.abinitio.AbInitio
fmul :
src.objective.Penalty
force :
src.abinitio.AbInitio
force_map :
src.abinitio.AbInitio
forcefield :
src.smirnoffio.SMIRNOFF
fout :
src.molecule.Molecule
fqm :
src.abinitio.AbInitio
frcmod :
src.amberio.AMBER
freeze_atoms :
src.smirnoffio.SMIRNOFF
,
src.torsion_profile.TorsionProfileTarget
fref :
src.abinitio.AbInitio
Funnel :
src.molecule.Molecule
Generated on Thu Jul 9 2020 11:51:12 for ForceBalance API by
1.8.13