samples/cutoff/max.md

#include "lj.md"

component{
  type = "Kr";
  nMol = 9;
}
component{
  type = "He";
  nMol = 855;
}

initialConfig = "./cutoff_test.in";
cutoffPolicy = "max";

forceField = "LJ";

ensemble = "NVE";
dt = 1;
runTime = 1e3;

sampleTime = 10;
statusTime = 1;
Revision:	781
Committed:	Fri Dec 2 22:37:05 2005 UTC (19 years, 5 months ago) by gezelter
Original Path:	*trunk/samples/cutoff/max.md*
File size:	255 byte(s)
Log Message:	removing deprecated nAtoms and nComponents lines
#	Content
1	#include "lj.md"
2
3	component{
4	type = "Kr";
5	nMol = 9;
6	}
7	component{
8	type = "He";
9	nMol = 855;
10	}
11
12	initialConfig = "./cutoff_test.in";
13	cutoffPolicy = "max";
14
15	forceField = "LJ";
16
17	ensemble = "NVE";
18	dt = 1;
19	runTime = 1e3;
20
21	sampleTime = 10;
22	statusTime = 1;