scan['\\omega']=omega
scan['\\Lambda']=Lambda
obsfwd = ObservableData(["strain","averagetwist"],scan_dir='scanforward',
scan=scan,loadsuf=loadsuf,
savesuf=savesuf)
Req = obsfwd.R()[0]
print(Req)
strains = obsfwd.data[:,0]
stresses = np.gradient(obsfwd.E(),strains)*K22*q*q/1000 # stress in kPa
stresses[0] = 0.0
ysfwd = [stresses,obsfwd.data[:,1],obsfwd.delta()]
if obsfwd.E()[0] > 1e299:
print("bad calculation at Lambda = ",Lambda)
for j,observable in enumerate(observable_list):
if observable == 'surfacetwist':
ylabel = r'$<\psi>$' + ' (' + r"$\si{\radian}$" + ')'
elif observable == "stress":
ylabel = r"$\tilde{\sigma}$" + ' (' + r"$\si{\kilo\pascal}$" + ')'
elif observable == 'delta':
ylabel = r'$\delta/\delta_0$'
ysfwd[j] = ysfwd[j]/np.sqrt(2/3)
savesuf=savesuf)
if not obsfwd.file_exists:
continue
obsfwd.sort_observables()
obsfwd.remove_duplicates()
Lambdas = obsfwd.data[:,0]
#obsbkwd = ObservableData(["\\Lambda"],scan_dir='scanbackward',scan=scan,loadsuf=loadsuf,
# savesuf=savesuf)
#obsbkwd.sort_observables()
ysfwd = [obsfwd.E(),obsfwd.R(),obsfwd.eta(),obsfwd.delta(),obsfwd.surfacetwist()]
#ysbkwd = [obsbkwd.E(),obsbkwd.R(),obsbkwd.eta(),obsbkwd.delta(),obsbkwd.surfacetwist()]
for i,observable in enumerate(observable_list):
if observable == 'surfacetwist':
ylabel = r'$\psi(R)$'
elif observable == 'eta':
ylabel = r'$2\pi/\eta$'
ysfwd[i] = 2*np.pi/ysfwd[i]
elif observable == 'delta':
ylabel = r'$\delta/\delta_0$'
ysfwd[i] = ysfwd[i]/np.sqrt(2/3)
elif len(observable) > 1:
obsfwd = ObservableData(["strain", "averagetwist"],
scan_dir=f'scanforward{type}',
scan=scan,
loadsuf=loadsuf,
savesuf=savesuf)
Req = obsfwd.R()[0]
print(Req)
strains = obsfwd.data[:, 0]
stresses = np.gradient(obsfwd.E(),
strains) * K22 * q * q / 1000 # stress in kPa
stresses[0] = 0.0
avgtwist = obsfwd.data[:, 1]
minindex = np.argmin(avgtwist)
ysfwd = [stresses, avgtwist, obsfwd.delta()]
if obsfwd.E()[0] > 1e299:
print("bad calculation at Lambda = ", Lambda)
for j, observable in enumerate(observable_list):
if observable == 'surfacetwist':
ylabel = r'$<\psi>$' + ' (' + r"$\si{\radian}$" + ')'
elif observable == "stress":
ylabel = r"$\tilde{\sigma}$" + ' (' + r"$\si{\kilo\pascal}$" + ')'
elif observable == 'delta':
ylabel = r'$\delta/\delta_0$'
ysfwd[j] = ysfwd[j] / np.sqrt(2 / 3)
elif len(observable) > 1:
ylabel = fr'$\{observable}$'
else:
scan['\\Lambda'] = Lambda
print(Lambda)
obsfwd = ObservableData(["strain"],
scan_dir='scanforward',
scan=scan,
loadsuf=loadsuf,
savesuf=savesuf)
#obsfwd.sort_observables()
#obsfwd.remove_duplicates()
strains = obsfwd.data[:, 0]
stresses = np.gradient(obsfwd.E(), strains)
stresses[0] = 0.0
#ysfwd = [obsfwd.E(),obsfwd.R(),obsfwd.delta(),obsfwd.surfacetwist(),stresses]
ysfwd = [stresses, obsfwd.delta(), obsfwd.surfacetwist()]
if obsfwd.E()[0] > 1e299:
print("bad calculation at Lambda = ", Lambda)
continue
for i, observable in enumerate(observable_list):
if observable == 'surfacetwist':
ylabel = r'$\psi(R)$'
elif observable == "stress":
ylabel = r"$\sigma$"
elif observable == 'delta':
ylabel = r'$\delta/\delta_0$'
ysfwd[i] = ysfwd[i] / np.sqrt(2 / 3)
elif len(observable) > 1:
ylabel = fr'$\{observable}$'
scan['k_{24}'] = k24
scan['\\omega'] = omega
obsfwd = ObservableData(["\\gamma_s"],
scan_dir='scanforward',
scan=scan,
loadsuf=loadsuf,
savesuf=savesuf)
gammas = obsfwd.data[:, 0]
ysfwd = [
obsfwd.E(),
obsfwd.R(),
obsfwd.eta(),
obsfwd.delta(),
obsfwd.surfacetwist()
]
"""
obsbkwd = ObservableData(["\\gamma_s"],scan_dir='scanbackward',scan=scan,loadsuf=loadsuf,
savesuf=savesuf)
ysbkwd = [obsbkwd.R(),obsbkwd.surfacetwist()]
g_small,g_large,g_eq = find_metastable(obsfwd.R(),obsbkwd.R(),
obsfwd.E(),obsbkwd.E())
print(g_small,g_large,g_eq)
"""
scan_dir='scanforward',
scan=scan,
loadsuf=loadsuf,
savesuf=savesuf)
Lambdas = obsfwd.data[:, 0]
if js == 1:
obsbkwd = ObservableData(["\\Lambda"],
scan_dir='scanbackward',
scan=scan,
loadsuf=loadsuf,
savesuf=savesuf)
obsbkwd.sort_observables()
ysbkwd = [obsbkwd.E(), obsbkwd.eta(), obsbkwd.delta()]
ysfwd = [obsfwd.E(), obsfwd.eta(), obsfwd.delta()]
for i, observable in enumerate(observable_list):
if observable == 'surfacetwist':
ylabel = r'$\psi(R)$'
elif observable == 'eta':
ylabel = r'$2\pi/\eta$'
ysfwd[i] = 2 * np.pi / ysfwd[i]
if js == 1:
ysbkwd[i] = 2 * np.pi / ysbkwd[i]
elif observable == 'delta':
ylabel = r'$\delta/\delta_0$'
ysfwd[i] = ysfwd[i] / np.sqrt(2 / 3)
scan=scan,
loadsuf=loadsuf,
savesuf=savesuf)
obsbkwd = ObservableData(["\\Lambda"],
scan_dir='scanbackward',
scan=scan,
loadsuf=loadsuf,
savesuf=savesuf)
obsbkwd.sort_observables()
observable_list = ['E', 'R', 'eta', 'delta', 'surfacetwist']
ysfwd = [
obsfwd.E(),
obsfwd.R(),
obsfwd.eta(),
obsfwd.delta(),
obsfwd.surfacetwist()
]
ysbkwd = [
obsbkwd.E(),
obsbkwd.R(),
obsbkwd.eta(),
obsbkwd.delta(),
obsbkwd.surfacetwist()
]
for i, observable in enumerate(observable_list):
fig[observable] = plt.figure()
ax[observable] = fig[observable].add_subplot(1, 1, 1)
Req = obsfwd.R()[0]
print(Req)
strains = obsfwd.data[:,0]
stresses = np.gradient(obsfwd.E(),strains)*K22*q*q/1000 # stress in kPa
stresses[0] = 0.0
avgtwist = obsfwd.data[:,1]
minindex = np.argmin(avgtwist)
if type == "no-core":
# incompatibility between the no core and core case so need to do this hack
deltas = obsfwd.eta()
else:
deltas = obsfwd.delta()
ysfwd = [stresses,avgtwist,deltas]
if obsfwd.E()[0] > 1e299:
print("bad calculation at Lambda = ",Lambda)
for j,observable in enumerate(observable_list):
if observable == 'surfacetwist':
ylabel = r'$<\psi>$' + ' (' + r"$\si{\radian}$" + ')'
elif observable == "stress":
ylabel = r"$\tilde{\sigma}$" + ' (' + r"$\si{\kilo\pascal}$" + ')'
Lambda = 600
omega = 20
K33 = 30.0
scan = {}
scan['\\gamma_s'] = str(gamma)
scan['k_{24}'] = str(k24)
scan['\\Lambda'] = str(Lambda)
scan['\\omega'] = str(omega)
scan['K_{33}'] = str(K33)
observablestuff = ObservableData(scan=scan,loadsuf=loadsuf,savesuf=loadsuf,
name=f"observables_frustrated")
delta = observablestuff.delta()
eta = observablestuff.eta()
E0 = observablestuff.E()
print(delta,eta,E0)
psistuff = PsiData(scan=scan,loadsuf=loadsuf,savesuf=savesuf,name=f"psivsr_frustrated",
sfile_format="pdf")
rs = psistuff.r()
psis = psistuff.psi()
psiprimes = psistuff.psiprime()
R0s = np.copy(rs[:len(rs)-10:5])
for j,Lambda in enumerate(Lambdas):
scan = {}
scan['\\Lambda']=Lambda
scan['k_{24}']=k24
scan['\\omega']=omega
obsfwd = ObservableData(["\\gamma_s"],scan_dir='scanforward',scan=scan,loadsuf=loadsuf,
savesuf=savesuf)
gammas = obsfwd.data[:,0]
ysfwd = [obsfwd.E(),obsfwd.R(),obsfwd.eta(),
obsfwd.delta(),obsfwd.surfacetwist()]
"""
obsbkwd = ObservableData(["\\gamma_s"],scan_dir='scanbackward',scan=scan,loadsuf=loadsuf,
savesuf=savesuf)
ysbkwd = [obsbkwd.R(),obsbkwd.surfacetwist()]
g_small,g_large,g_eq = find_metastable(obsfwd.R(),obsbkwd.R(),
obsfwd.E(),obsbkwd.E())
print(g_small,g_large,g_eq)
"""
for i,observable in enumerate(observable_list):