def init():
computer = Computer("Zong's Computer")
admin = Admin("Zong", computer)
products = []
products.append(Product("14314", "锤子"))
products.append(Product("241432", "螺丝刀"))
products.append(Product("441413", "剪刀"))
products.append(Product("534134", "钳子"))
products.append(Product("534134", "挖掘机", expensive=True))
converger = Converger("永不罢工的传送带")
robots = []
robots.append(Robot("1号机器人", converger))
robots.append(Robot("2号机器人", converger))
robots.append(Robot("3号机器人", converger))
computer.addRobot(robots[0])
computer.addRobot(robots[1])
computer.addRobot(robots[2])
return TWS(admin, computer, robots,products, converger)
def __init__(self, name='', con=Converger()):
self.name = name
self.converger = con
self.state = 'Fine'
self.use = False
self.request_queue = Queue(maxsize=10)
from converger import Converger
#convergence in 'total energy', 'geometry' or 'single phonon' calculations
#can be studied with respect to the following variables:
# 'nbnd' : 'system',
# 'degauss' : 'system',
# 'ecutwfc' : 'system',
# 'ecutrho' : 'system',
# 'conv_thr' : 'electrons',
# 'etot_conv_thr': 'control',
# 'forc_conv_thr': 'control',
# 'path_thr' : 'ions',
# 'kpoints' : 'k_points'
opt = Converger('config.ini', 'total energy', tolerance=0.1)
conv_thr = opt.converge(what='conv_thr', startValue=1e-4, multiply=0.1)
ecut = opt.converge(what='ecutwfc', startValue=18, step=4)
ecutrho = opt.converge('ecutrho', ecut * 4, 16)
#opt.converge('kpoints',[12,12,12],[2,2,2])
#print opt.getForces()
#print opt.getStress()
