Packages

Here are the packages with brief descriptions (if available):

[detail level 12]

Nfilecnv
▼Nforcebalance
Nabinitio	Ab-initio fitting module (energies, forces, resp)
Nabinitio_internal	Internal implementation of energy matching (for TIP3P water only)
Namberio	AMBER force field input/output
Nbinding	Binding energy fitting module
Ncounterpoise	Match an empirical potential to the counterpoise correction for basis set superposition error (BSSE)
Ncustom_io	Custom force field parser
Nevaluator	A target which employs the OpenFF Evaluator framework to compute condensed phase physical properties
Nforcefield	Force field module
Ngmxio	GROMACS input/output
Nhydration	Hydration free energy fitting module
Ninteraction	Interaction energy fitting module
Nlipid	Matching of lipid bulk properties
Nliquid	Matching of liquid bulk properties
Nmoments	Multipole moment fitting module
Nnifty	Nifty functions, intended to be imported by any module within ForceBalance
Nobjective	ForceBalance objective function
Nopenmmio	OpenMM input/output
Nopt_geo_target	Optimized Geometry fitting module
Noptimizer	Optimization algorithms
Nparser	Input file parser for ForceBalance jobs
Npsi4io	PSI4 force field input/output
Nqchemio	Q-Chem input file parser
Nsmirnoff	SMIRNOFF force field support
Ntinkerio	TINKER input/output
Ntorsion_profile	Torsion profile fitting module
Nvibration	Vibrational mode fitting module
NForceBalance	Executable script for starting ForceBalance
NMakeInputFile	Executable script for printing out an example input file with defaults and documentation
▼Nsrc
N_version
Nabinitio
Nabinitio_internal
Namberio
Nbinding
Nchemistry
Ncounterpoise
Ncustom_io
Nengine
Nevaluator_io
Nffyapf
Nfinite_difference
Nforcefield
Ngmxio
Nhydration
Ninteraction
Nleastsq
Nlipid
Nliquid
NMol2
Nmolecule
Nmoments
Nnifty
Nobjective
Nopenmmio
Nopt_geo_target
Noptimizer
Noutput
Nparser
Npsi4io
NPT
Nqchemio
Nquantity
Nreadfrq
Nsmirnoff_hack
Nsmirnoffio
Ntarget
Nthermo
Ntinkerio
Ntorsion_profile
Nvibration