samples/argon/argonNVT.md

#include "lj.md"

nComponents = 1;
component{
  type = "Ar";
  nMol = 108;
}

initialConfig = "./argonNVT.in";

forceField = "LJ";
targetTemp = 119.8;
density = 0.02143659;

ensemble = "NVT";
tauThermostat = 1e3;
dt = 1.0;
runTime = 1e4;

sampleTime = 10;
statusTime = 1;

thermalTime = 100.0;
tempSet = "false";
Revision:	2
Committed:	Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
Original Path:	*trunk/samples/argon/argonNVT.md*
File size:	313 byte(s)
Log Message:	Import of OOPSE v. 2.0
#	User	Rev	Content
1	gezelter	2	#include "lj.md"
2
3			nComponents = 1;
4			component{
5			type = "Ar";
6			nMol = 108;
7			}
8
9			initialConfig = "./argonNVT.in";
10
11			forceField = "LJ";
12			targetTemp = 119.8;
13			density = 0.02143659;
14
15			ensemble = "NVT";
16			tauThermostat = 1e3;
17			dt = 1.0;
18			runTime = 1e4;
19
20			sampleTime = 10;
21			statusTime = 1;
22
23			thermalTime = 100.0;
24			tempSet = "false";