tinkerio.py File Reference

Go to the source code of this file.

Classes
class	src.tinkerio.Tinker_Reader
	Finite state machine for parsing TINKER force field files. More...
class	src.tinkerio.TINKER
	Engine for carrying out general purpose TINKER calculations. More...
class	src.tinkerio.Liquid_TINKER
	Condensed phase property matching using TINKER. More...
class	src.tinkerio.AbInitio_TINKER
	Subclass of Target for force and energy matching using TINKER. More...
class	src.tinkerio.BindingEnergy_TINKER
	Binding energy matching using TINKER. More...
class	src.tinkerio.Interaction_TINKER
	Subclass of Target for interaction matching using TINKER. More...
class	src.tinkerio.Moments_TINKER
	Subclass of Target for multipole moment matching using TINKER. More...
class	src.tinkerio.Vibration_TINKER
	Vibrational frequency matching using TINKER. More...

Namespaces
	src.tinkerio
	forcebalance.tinkerio
	TINKER input/output.

Functions
def	src.tinkerio.write_key (fout, options, fin=None, defaults={}, verbose=False, prmfnm=None, chk=[])
	Create or edit a TINKER .key file. More...

Variables
list	src.tinkerio.allp
list	src.tinkerio.eckeys
	src.tinkerio.logger = getLogger(__name__)
dictionary	src.tinkerio.pdict