src.gmxio.Thermo_GMX Class Reference

Thermodynamical property matching using GROMACS. More...

Inheritance diagram for src.gmxio.Thermo_GMX:

Collaboration diagram for src.gmxio.Thermo_GMX:

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

Public Attributes
	engine_
	engname
	mdpfx
	scripts

Detailed Description

Thermodynamical property matching using GROMACS.

Definition at line 1680 of file gmxio.py.

Constructor & Destructor Documentation

__init__()

def src.gmxio.Thermo_GMX.__init__	(		self,
			options,
			tgt_opts,
			forcefield
	)

Definition at line 1681 of file gmxio.py.

Here is the call graph for this function:

Member Data Documentation

engine_

src.gmxio.Thermo_GMX.engine_

Definition at line 1686 of file gmxio.py.

engname

src.gmxio.Thermo_GMX.engname

Definition at line 1688 of file gmxio.py.

mdpfx

src.gmxio.Thermo_GMX.mdpfx

Definition at line 1690 of file gmxio.py.

scripts

src.gmxio.Thermo_GMX.scripts

Definition at line 1692 of file gmxio.py.

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

• gmxio.py