def run_it(p):
print('Running for parameters: {}'.format(p))
global last_s
global last_ps
if last_ps[:-1] == p.ps[:-1]:
print('Changed T only')
s = last_s
s.T = p.T
s.run(changedTonly=True)
else:
s = None
if p.model == 'QcaBond':
s = qca.QcaBond()
elif p.model == 'QcaFixedCharge':
s = qca.QcaFixedCharge()
elif p.model == 'QcaGrandCanonical':
s = qca.QcaGrandCanonical()
s.V0 = p.V0
s.mu = 250
s.l = qca.Wire(p.N, p.V1, p.boa, 1)
s.T = p.T
s.init()
s.run()
last_s = s
last_ps = p.ps
return s
def run_it(p):
print('Running for parameters: {}'.format(p))
s = None
if p.model == 'QcaBond':
s = qca.QcaBond()
elif p.model == 'QcaFixedCharge':
s = qca.QcaFixedCharge()
elif p.model == 'QcaGrandCanonical':
s = qca.QcaGrandCanonical()
elif p.model == 'QcaIsing':
s = qca.QcaIsing()
s.V0 = p.V0
s.mu = p.mu
s.q = p.q
s.T = 1
s.l = qca.Wire(p.N, p.V1, p.boa, 1)
s.init()
s.run()
Es = np.array(s.energies())
Es.sort()
Es = Es[:10000] # throw away high energy states
s.results['energies'] = Es
return s
def run(self, V1s_start=None):
if self.model_type == 'QcaIsing':
self.s = qca.QcaIsing()
elif self.model_type == 'QcaBond':
self.s = qca.QcaBond()
self.s.V0 = 1E6
self.s.T = self.T
self.s.q = self.q
self.y0s = []
self.e_y0s = []
self.ss = []
self.e_ss = []
if V1s_start is not None:
self.V1s_start = V1s_start
V11 = self.V1s_start[0]
V12 = self.V1s_start[1]
try:
V1_crit = scipy.optimize.bisect(self.slope, V11, V12, xtol=self.epsilon)
self.results['V1_crit'] = V1_crit
self.results['N_iteration'] = len(self.y0s)
self.results['y0'] = self.y0s
self.results['error_y0'] = self.e_y0s
self.results['slope'] = self.ss
self.results['error_slope'] = self.e_ss
except (ValueError):
pass
def run_it(p):
print('Running for parameters: {}'.format(p))
s = None
if p.model == 'QcaIsing':
s = qca.QcaIsing()
elif p.model == 'QcaBond':
s = qca.QcaBond()
s.q = 0.5
s.t = 1
s.T = p.T
s.l = qca.Wire(p.N, p.V1, p.boa, p.P)
s.init()
s.run()
return s
def run(self):
if self.type == 'QcaBond':
self.s = qca.QcaBond()
elif self.type == 'QcaIsing':
self.s = qca.QcaIsing()
self.s.V0 = 1E6
self.s.T = self.T
self.s.q = self.q
try:
P_D = scipy.optimize.bisect(self.f, 1E-4, 1, xtol=self.epsilon)
self.results['P_D'] = P_D
except (ValueError):
pass
def run_it(p):
print('Running for parameters: {}'.format(p))
s = None
if p.model == 'QcaBond':
s = qca.QcaBond()
elif p.model == 'QcaFixedCharge':
s = qca.QcaFixedCharge()
elif p.model == 'QcaGrandCanonical':
s = qca.QcaGrandCanonical()
s.q = p.q
s.V0 = 1E6
s.mu = 0
s.t = 1
s.T = p.T
N, V1 = 3, 40
s.l = qca.Wire(N, V1, p.boa, p.P)
s.init()
s.run()
return s
