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 = 1e5;

sampleTime = 100;
statusTime = 10;

thermalTime = 100.0;
tempSet = "false";
Revision:	584
Committed:	Wed Sep 7 19:18:44 2005 UTC (20 years, 1 month ago) by gezelter
File size:	315 byte(s)
Log Message:	Just a longer test
#	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	gezelter	584	runTime = 1e5;
19	gezelter	2
20	gezelter	584	sampleTime = 100;
21			statusTime = 10;
22	gezelter	2
23			thermalTime = 100.0;
24			tempSet = "false";