#load model
model = KMC_Model(print_rates=False, banner=False)
#set pressures and temperature
model.parameters.T = 450
model.parameters.p_COgas = 1
model.parameters.p_O2gas = 1
#prepare initial state of system with all bridge sites covered by O
#for i in range(model.size[0]):
# for j in range(model.size[1]):
# model._put([i,j,0,model.lattice.ruo2_bridge], model.proclist.o)
#model._adjust_database()
#get TOF labels
tof_labels = model.get_tof_header().split(' ')
#get coverage labels
cov_labels = model.get_occupation_header().split(' ')
#Number of kmc steps taken in each sample
sample_step = 1e5
#Number of samples
N = 100
#prepare arrays for TOFs, coverages and kmc steps
tofs = np.zeros((N, len(tof_labels)))
covs = np.zeros((N, len(cov_labels)))
steps = np.zeros((N, 1))
#load model
model = KMC_Model(print_rates=False, banner=False)
#set pressures and temperature
model.parameters.T = 450
model.parameters.p_COgas = 1
model.parameters.p_O2gas = 1
#prepare initial state of system with all bridge sites covered by O
#for i in range(model.size[0]):
# for j in range(model.size[1]):
# model._put([i,j,0,model.lattice.ruo2_bridge], model.proclist.o)
#model._adjust_database()
#get TOF labels
tof_labels = model.get_tof_header().split(' ')
#get coverage labels
cov_labels = model.get_occupation_header().split(' ')
#Number of kmc steps taken in each sample
sample_step = 1e5
#Number of samples
N = 100
#prepare arrays for TOFs, coverages and kmc steps
tofs = np.zeros((N,len(tof_labels)))
covs = np.zeros((N,len(cov_labels)))
steps = np.zeros((N,1))
