Run Parameters

The waves program accepts a single file which contains the simulation parameters in the following format <parameter> = <value>. Each line contains a single parameter. Comments in the parameter file can be given using the '#' character. A typical parameter file is shown below

temperature = 300
nsteps      = 50000 
grid        = 0.15 0.15
hinit       = 2.50
box         = 4.0 4.0 5.0
diffusion   = no

The following is the list of all input parameters with a brief comment on what they mean

Parameter	Type	Default Value	Units	Comments
temperature	float	300 K	K
nsteps	int			Number of time steps to run
dt	float		ps	Time step
tau	float		ps	Timescale for momentum decorrelation
l	float	0.9 nm	nm
gamma	float	72 mN/m	mN/m	Surface tension
grid	float float		nm	Grid size
box	float float float		nm	Simulation box dimensions in x y z
hinit	float		nm	The z location of grid points in the starting configuration
diffusion	bool	yes		Allow center of mass motion (yes/no)
field	string			File containing constraint parameters

Notes

• The starting configuration is a flat interface with the same z location of all the grid points