samples/argon/500.md

#include "lj.md"


component{
  type = "Ar";
  nMol = 500;
}

initialConfig = "./500.in";

forceField = "LJ";
targetTemp = 135.1344;
tauThermostat = 1e3;
cutoffRadius = 9.0;
switchingRadius = 9.0;
switchingFunctionType = "fifth_order_polynomial";

ensemble = "NVE";
dt = 1.0;
runTime = 1e4;

sampleTime = 100;
statusTime = 1;

thermalTime = 1000.0;
tempSet = "false";
Revision:	938
Committed:	Mon Apr 17 21:49:12 2006 UTC (19 years, 3 months ago) by gezelter
Original Path:	*trunk/samples/argon/500.md*
File size:	368 byte(s)
Log Message:	Many performance improvements
#	User	Rev	Content
1	gezelter	2	#include "lj.md"
2
3	tim	790
4	gezelter	2	component{
5			type = "Ar";
6			nMol = 500;
7			}
8
9			initialConfig = "./500.in";
10
11			forceField = "LJ";
12			targetTemp = 135.1344;
13			tauThermostat = 1e3;
14	chrisfen	723	cutoffRadius = 9.0;
15	gezelter	938	switchingRadius = 9.0;
16	chrisfen	723	switchingFunctionType = "fifth_order_polynomial";
17	gezelter	2
18	chrisfen	594	ensemble = "NVE";
19	gezelter	2	dt = 1.0;
20	chrisfen	937	runTime = 1e4;
21	gezelter	2
22			sampleTime = 100;
23			statusTime = 1;
24
25			thermalTime = 1000.0;
26			tempSet = "false";