Inheritance diagram for src.gmxio.Liquid_GMX:

Collaboration diagram for src.gmxio.Liquid_GMX:

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

def	npt_simulation (self, temperature, pressure, simnum)
	Submit a NPT simulation to the Work Queue. More...

Public Attributes
	engine_

	engname

	nptpfx

	nptfiles

	gas_engine_args

	scripts

	extra_output

	LfDict

	LfDict_New

	last_traj

Detailed Description

Definition at line 1486 of file gmxio.py.

Constructor & Destructor Documentation

◆ init()

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

Definition at line 1487 of file gmxio.py.

Here is the call graph for this function:

Member Function Documentation

◆ npt_simulation()

def src.gmxio.Liquid_GMX.npt_simulation	(	self,
		temperature,
		pressure,
		simnum
	)

Submit a NPT simulation to the Work Queue.

Definition at line 1536 of file gmxio.py.

Member Data Documentation

◆ engine_

src.gmxio.Liquid_GMX.engine_

Definition at line 1501 of file gmxio.py.

◆ engname

src.gmxio.Liquid_GMX.engname

Definition at line 1503 of file gmxio.py.

◆ extra_output

src.gmxio.Liquid_GMX.extra_output

Definition at line 1524 of file gmxio.py.

◆ gas_engine_args

src.gmxio.Liquid_GMX.gas_engine_args

Definition at line 1512 of file gmxio.py.

◆ last_traj

src.gmxio.Liquid_GMX.last_traj

Definition at line 1547 of file gmxio.py.

◆ LfDict

src.gmxio.Liquid_GMX.LfDict

Definition at line 1529 of file gmxio.py.

◆ LfDict_New

src.gmxio.Liquid_GMX.LfDict_New

Definition at line 1530 of file gmxio.py.

◆ nptfiles

src.gmxio.Liquid_GMX.nptfiles

Definition at line 1509 of file gmxio.py.

◆ nptpfx

src.gmxio.Liquid_GMX.nptpfx

Definition at line 1505 of file gmxio.py.

◆ scripts

src.gmxio.Liquid_GMX.scripts

Definition at line 1515 of file gmxio.py.

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

gmxio.py

Public Member Functions

Public Attributes