water/ssd/ssd.md

#include "water.md"


component{
  type = "SSD";
  nMol = 256;
}

initialConfig = "./ssd.in";

ensemble = NVE;
forceField = "DUFF";
electrostaticSummationMethod = "none";
dielectric = 80.0;
cutoffRadius = 9.0;
switchingRadius = 7.8;
switchingFunctionType = "fifth_order_polynomial";


targetTemp = 300;
targetPressure = 1.0;

tauThermostat = 1e3;
tauBarostat = 1e4;

dt = 2.0;
runTime = 1e5;

//tempSet = "true";
//thermalTime = 200;
sampleTime = 1000;
statusTime = 10;
Revision:	790
Committed:	Tue Dec 6 16:49:59 2005 UTC (19 years, 8 months ago) by tim
Original Path:	*trunk/samples/water/ssd/ssd.md*
File size:	471 byte(s)
Log Message:	remove deprecated keywords from samples
#	User	Rev	Content
1	gezelter	2	#include "water.md"
2
3	tim	790
4	gezelter	2	component{
5			type = "SSD";
6			nMol = 256;
7			}
8
9			initialConfig = "./ssd.in";
10
11	gezelter	201	ensemble = NVE;
12	chrisfen	627	forceField = "DUFF";
13	chrisfen	639	electrostaticSummationMethod = "none";
14	gezelter	2	dielectric = 80.0;
15			cutoffRadius = 9.0;
16			switchingRadius = 7.8;
17	chrisfen	724	switchingFunctionType = "fifth_order_polynomial";
18	gezelter	2
19
20	tim	790
21	gezelter	2	targetTemp = 300;
22			targetPressure = 1.0;
23
24			tauThermostat = 1e3;
25			tauBarostat = 1e4;
26
27			dt = 2.0;
28	gezelter	559	runTime = 1e5;
29	gezelter	2
30	chrisfen	455	//tempSet = "true";
31			//thermalTime = 200;
32	gezelter	559	sampleTime = 1000;
33			statusTime = 10;