Esempio n. 1
0
	n = 0;
	for f in os.listdir(dirs[i]):
		if(f.endswith(".xyz") and f != "combined.xyz" and f != "sorted.xyz"):
			n += 1;
		#end
	#end
	if(n == nP):
		stableStates += 1;
	else:
		print str(i) + " is unstable";
		break;
	#end
#end

mdm.setDir(runName + "/analyzed");
mdm.loadSimulation(runName, stableStates);
print stableStates

# t = 25*np.arange(stableStates + 1, 25);
# mdm.numberOfSilanol(3259.46268694, t, states = range(0, stableStates + 1, 25));

# mdm.makeVmdData();

# L = 12*0.716;

# A = L*L;

# dt = 0.25*50;

# step = 25;