src.tinkerio.AbInitio_TINKER Class Reference

Subclass of Target for force and energy matching using TINKER. More...

Inheritance diagram for src.tinkerio.AbInitio_TINKER:

Collaboration diagram for src.tinkerio.AbInitio_TINKER:

Public Member Functions
def	__init__ (self, options, tgt_opts, forcefield)

Public Attributes
	engine_
	Default file names for coordinates and key file. More...

Detailed Description

Subclass of Target for force and energy matching using TINKER.

Definition at line 1126 of file tinkerio.py.

Constructor & Destructor Documentation

__init__()

def src.tinkerio.AbInitio_TINKER.__init__	(		self,
			options,
			tgt_opts,
			forcefield
	)

Definition at line 1127 of file tinkerio.py.

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Member Data Documentation

engine_

src.tinkerio.AbInitio_TINKER.engine_

Default file names for coordinates and key file.

Definition at line 1131 of file tinkerio.py.

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The documentation for this class was generated from the following file:

• tinkerio.py