ndispers 0.3.0__py2.py3-none-any.whl

ndispers/__init__.py

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+"""
+init file of ndispers package
+"""
+__version__ = "0.3.0"
+
+from . import _baseclass, media
+

ndispers/_baseclass.py

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+"""
+base class for medium object - _baseclass.py
+"""
+import sympy
+from sympy.utilities import lambdify
+wl = sympy.Symbol('lambda')
+phi = sympy.Symbol('phi')
+theta = sympy.Symbol('theta')
+T = sympy.Symbol('T')
+
+from math import pi
+c_ms = 2.99792458e8 #(m/s) speed of light in vacuum
+c_umfs = c_ms * 1e-9  #(µm/fs)
+
+import numpy as np
+from collections import defaultdict
+
+from .helper import (returnShape, arg_signchange)
+
+class Medium:
+    """
+    Medium object base class. Vacuum with n=1.0.
+    """
+    __slots__ = ["__plane", "__theta_rad", "__phi_rad", "_cached_func_dict"]
+
+    def __init__(self):
+        self.__plane = 'arb'
+        self.__theta_rad = 'arb'
+        self.__phi_rad = 'arb'
+        self._cached_func_dict = defaultdict(dict)
+        self._cached_func_dict['n_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['dn_wl_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['d2n_wl_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['d3n_wl_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['GD_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['GV_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['ng_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['GD_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['GVD_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['TOD_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['woa_theta_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['woa_phi_expr'] = {'o': 0, 'e': 0}
+        self._cached_func_dict['dndT_expr'] = {'o': 0, 'e': 0}
+    
+    def clear(self):
+        """clear cached functions"""
+        self.__init__()
+
+    @property
+    def help(self):
+        print(self.__doc__)
+
+    @property
+    def plane(self):
+        return self.__plane
+
+    @property
+    def theta_rad(self):
+        return self.__theta_rad
+        
+    @property
+    def phi_rad(self):
+        return self.__phi_rad
+    
+    def __repr__(self):
+        return f"{self.__class__}\n  plane: {self.plane}\n  theta_rad: {self.theta_rad}\n  phi_rad: {self.phi_rad}"
+
+    def n_expr(self, pol):
+        return 1.0
+
+    """ Derivative expressions """
+    def dn_wl_expr(self, pol):
+        """ Sympy expression for first derivative of n with respect to wl """
+        return sympy.diff(self.n_expr(pol), wl)
+    
+    def d2n_wl_expr(self, pol):
+        """ Sympy expression for second derivative of n with respect to wl """
+        return sympy.diff(self.dn_wl_expr(pol), wl)
+
+    def d3n_wl_expr(self, pol):
+        """ Sympy expression for third derivative of n with respect to wl """
+        return sympy.diff(self.d2n_wl_expr(pol), wl)
+
+    def GD_expr(self, pol):
+        """ Sympy expression for group delay """
+        return (self.n_expr(pol) - wl * self.dn_wl_expr(pol)) * 1e3 / c_umfs
+    
+    def GV_expr(self, pol):
+        """ Sympy expression for group velocity """
+        return (c_umfs/self.n_expr(pol)) / (1 - (wl/self.n_expr(pol)) * self.dn_wl_expr(pol))
+    
+    def ng_expr(self, pol):
+        """ Sympy expression for group index """
+        n_expr = self.n_expr(pol)
+        return n_expr * (1 - wl/n_expr * self.dn_wl_expr(pol))
+    
+    def GVD_expr(self, pol):
+        """ Sympy expression for Group Delay Dispersion """
+        return wl**3/(2*pi*c_umfs**2) * self.d2n_wl_expr(pol) * 1e3
+    
+    def TOD_expr(self, pol):
+        """ Sympy expression for Third Order Dispersion """
+        return - wl**4/(4*pi**2*c_umfs**3) * (3*self.d2n_wl_expr(pol) + wl * self.d3n_wl_expr(pol)) * 1e3
+
+    def woa_theta_expr(self, pol):
+        """ Sympy expression for polar walkoff angle """
+        return sympy.atan(- sympy.diff(self.n_expr(pol), theta) / self.n_expr(pol))
+    
+    def woa_phi_expr(self, pol):
+        """ Sympy expression for azimuthal walkoff angle """
+        return sympy.atan(- sympy.diff(self.n_expr(pol), phi) / self.n_expr(pol))
+    
+    def dndT_expr(self, pol):
+        """ Sympy expression for dn/dT """
+        return sympy.diff(self.n_expr(pol), T)
+
+    def dndT2_expr(self, pol):
+        """ Sympy expression for d^2n/dT^2 """
+        return sympy.diff(self.dndT_expr(pol), T)
+
+    """ lambdified functions """
+    def _func(self, expr, *args, pol='o'):
+        array_args = map(np.asarray, args)
+        func = self._cached_func_dict[expr.__name__][pol]
+        if func:
+            return np.resize(func(*args), returnShape(*array_args))
+        else:
+            func = lambdify(self.symbols, expr(pol), 'numpy')
+            self._cached_func_dict[expr.__name__][pol] = func
+            return np.resize(func(*args), returnShape(*array_args))
+    
+    def n(self, *args, pol='o'):
+        return self._func(self.n_expr, *args, pol=pol)
+    
+    def dn_wl(self, *args, pol='o'):
+        return self._func(self.dn_wl_expr, *args, pol=pol)
+    
+    def d2n_wl(self, *args, pol='o'):
+        return self._func(self.d2n_wl_expr, *args, pol=pol)
+
+    def d3n_wl(self, *args, pol='o'):
+        return self._func(self.d3n_wl_expr, *args, pol=pol)
+
+    def GD(self, *args, pol='o'):
+        return self._func(self.GD_expr, *args, pol=pol)
+    
+    def GV(self, *args, pol='o'):
+        return self._func(self.GV_expr, *args, pol=pol)
+    
+    def ng(self, *args, pol='o'):
+        return self._func(self.ng_expr, *args, pol=pol)
+    
+    def GVD(self, *args, pol='o'):
+        return self._func(self.GVD_expr, *args, pol=pol)
+    
+    def TOD(self, *args, pol='o'):
+        return self._func(self.TOD_expr, *args, pol=pol)
+
+    def woa_theta(self, *args, pol='e'):
+        """ Polar walk-off angle (rad) """
+        return self._func(self.woa_theta_expr, *args, pol=pol)
+    
+    def woa_phi(self, *args, pol='e'):
+        """ Azimuthal walk-off angle (rad) """
+        return self._func(self.woa_phi_expr, *args, pol=pol)
+
+    def dndT(self, *args, pol='o'):
+        """
+        dn/dT function for given arguments (angle, temperature and polarization)
+
+        NOTE
+        ----
+        Here, self.dndT_expr is given by sympy.diff(self.n_expr(pol)), so there is no need to give dndT_expr explicitly.
+        """
+        return self._func(self.dndT_expr, *args, pol=pol)
+    
+    def dndT2(self, *args, pol='o'):
+        """ d^2n/dT^2 """
+        return self._func(self.dndT2_expr, *args, pol=pol)
+
+    
+    """ 
+    Methods for three-wave interactions
+    """
+    def dk_sfg(self, wl1, wl2, angle_rad, T_degC, pol1, pol2, pol3):
+        """
+        Wavevector mismatch for sum-frequency generation (SFG).
+
+        Parameters
+        ----------
+        wl1 : float or array_like
+            1st pump wavelength in µm.
+        wl2 : float or array_like
+            2nd pump wavelength in µm.
+        angle_rad : float or array_like
+            theta or phi angles in radians.
+        T_degC  :  float or array_like
+            Crystal temperature in degC.
+        pol1: {'o', 'e'}
+            Polarization of 1st pump wave.
+        pol2: {'o', 'e'}
+            Polarization of 2nd pump wave.
+        pol3: {'o', 'e'}
+            Polarization of sum-frequency wave.
+
+        Return
+        ------
+        float or array_like
+            Wavevector mismatch for SFG (in rad/µm)
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+        n1 = self.n(wl1, angle_rad, T_degC, pol=pol1)
+        n2 = self.n(wl2, angle_rad, T_degC, pol=pol2)
+        n3 = self.n(wl3, angle_rad, T_degC, pol=pol3)
+        dk_sfg = 2*pi * (n3/wl3 - n2/wl2 - n1/wl1)
+        return dk_sfg
+
+    def pmAngles_sfg(self, wl1, wl2, T_degC, tol_deg=0.005, deg=False):
+        """
+        Phase-matching (PM) angles for sum-frequency generation (SFG) and sum-frequency wavelength.
+
+        Parameters
+        ----------
+        wl1 : float or array_like
+            1st pump wavelength in µm.
+        wl2 : float or array_like
+            2nd pump wavelength in µm.
+        tol_deg : float, defalut=0.005
+            Tolerance error of angle in degree.
+        deg : bool, default=False
+            If returned angles are expressed in radians (False) or degrees (True).
+
+        Return
+        ------
+        dict,
+            'wl3'  :  wavelength of SFG
+            {'ooe'}  :  PM angle for negative type-I
+            {'eeo'}  :  PM angle for positive type-I
+            {'oee', 'eoe'}  :  PM angles for negative type-II
+            {'oee', 'eoe'}  :  PM angles for positive type-II
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+
+        def pmAngle_for_pol(pol1, pol2, pol3):
+            angle_ar = np.arange(0, 90, tol_deg) * pi/180
+            angle_pm = angle_ar[arg_signchange(self.dk_sfg(wl1, wl2, angle_ar, T_degC, pol1, pol2, pol3))]
+            if deg:
+                angle_pm *= 180/pi
+            pm_angles = dict()
+            if self.theta_rad == 'var':
+                pm_angles['theta'] = angle_pm.tolist()
+                pm_angles['phi'] = None
+            elif self.phi_rad == 'var':
+                pm_angles['phi'] = angle_pm.tolist()
+                pm_angles['theta'] = None
+            return pm_angles
+        
+        d = dict()
+        d['wl3'] = wl3
+        # Type-I interaction
+        d['ooe'] = pmAngle_for_pol('o', 'o', 'e') #negative
+        d['eeo'] = pmAngle_for_pol('e', 'e', 'o') #positive
+        # Type-II interaction
+        d['oee'] = pmAngle_for_pol('o', 'e', 'e') #nega1
+        d['eoe'] = pmAngle_for_pol('e', 'o', 'e') #nega2
+        d['eoo'] = pmAngle_for_pol('e', 'o', 'o') #posi1
+        d['oeo'] = pmAngle_for_pol('o', 'e', 'o') #posi2
+        return d
+
+    def pmFactor_sfg(self, wl1, wl2, angle_rad, T_degC, pol1, pol2, pol3, L_mm):
+        """
+        Phase-matching factor, sin^2((0.5*dk*L)/(0.5*dk*L)), for sum-frequency generation (SFG).
+
+        Parameters
+        ----------
+        wl1 : float or array_like
+            1st pump wavelength in µm.
+        wl2 : float or array_like
+            2nd pump wavelength in µm.
+        angle_rad : float or array_like
+            theta or phi angles in radians.
+        T_degC  :  float or array_like
+            Crystal temperature in degC.
+        pol1: {'o', 'e'}
+            Polarization of 1st pump wave.
+        pol2: {'o', 'e'}
+            Polarization of 2nd pump wave.
+        pol3: {'o', 'e'}
+            Polarization of sum-frequency wave.
+        L_mm : float
+            Crystal length in mm.
+
+        Return
+        ------
+        float or array_like
+            Phase-matching factor for SFG.
+        """
+        L_um = L_mm * 1e3
+        t = 0.5 * self.dk_sfg(wl1, wl2, angle_rad, T_degC, pol1, pol2, pol3) * L_um
+        return (np.sin(t)/t)**2
+    
+ 

ndispers/groups/__init__.py

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+"""
+ndispers.groups contains the crystal groups inherited from base class `Medium`.
+"""
+
+from ._uniax_neg_3m import Uniax_neg_3m
+from ._uniax_neg_32 import Uniax_neg_32

ndispers/groups/_uniax_neg_32.py

@@ -0,0 +1,162 @@
+from ndispers._baseclass import Medium
+import numpy as np
+
+class Uniax_neg_32(Medium):
+    """
+    Class of negative uniaxial crystals of point group 32.
+
+    d = [[ d11, -d11,  0, d14,   0,    0  ],
+         [  0,    0,   0,  0,  -d14, -d11 ],
+         [  0,    0,   0,  0,    0,    0  ]]
+      = [d_il]
+        i = 1,2,3 (1=x, 2=y, 3=z)
+        l = 1,2,...,6 (1=xx, 2=yy, 3=zz, 4=yz, 5=zx, 6=xy)
+    
+    Under the Kleinman symmetry,
+    dxyz = dyzx, or d14 = d25.
+    
+    With d25 = - d14, we get d14 = d25 = -d14. Therefore, d14 = 0.
+    Nonzero element is only d11.
+
+    """
+
+    def __init__(self):
+        super().__init__()
+    
+    def delta11(self, d11_known, wl1, wl2, T_degC):
+        """
+        Miller' delta for d11 coefficient (ijk = xxx).
+
+        Parameters
+        ----------
+        d11_known : float, second-order nonlinear coefficient, d11, known from literature.
+        wl1 : float, first pump wavelength in µm for the d11
+        wl2 : float, second pump wavelength in µm for the d11
+        T_degC : float, crystal temperature in degC.
+
+        return
+        ------
+        float, Miller's delta for 11 (ijk = xxx) component.
+
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+        theta_rad = 0 # This is an arbitrary value since n of o-wave does not depends on theta.
+        # chi : linear susceptibility
+        chi_wl1o = self.n(wl1, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3o = self.n(wl3, theta_rad, T_degC, pol='o')**2 - 1
+        return d11_known / (chi_wl3o * chi_wl2o * chi_wl1o)
+
+    def d11_sfg(self, wl1, wl2, T_degC, delta11=0):
+        """
+        d11 coefficient as a function of two pump wavelengths for SFG.
+
+        Parameters
+        ----------
+        wl1 : float, first pump wavelength in µm.
+        wl2 : float, second pump wavelength in µm.
+        T_degC : crystal temperature in degC.
+
+        return
+        ------
+        float, d11 coefficient (pm/V).
+
+        """
+
+        wl3 = 1./(1./wl1 + 1./wl2)
+        theta_rad = 0 # This is an arbitrary value since n of o-wave does not depends on theta.
+        chi_wl1o = self.n(wl1, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3o = self.n(wl3, theta_rad, T_degC, pol='o')**2 - 1
+        return delta11 * chi_wl3o * chi_wl2o * chi_wl1o
+    
+    def delta14(self, d14_known, wl1, wl2, T_degC):
+        """
+        Miller' delta for d14 coefficient (ijk = xyz).
+
+        Parameters
+        ----------
+        d14_known : float, second-order nonlinear coefficient, d14, known from literature.
+        wl1 : float, first pump wavelength in µm for the d14
+        wl2 : float, second pump wavelength in µm for the d14
+        T_degC : float, crystal temperature in degC.
+
+        return
+        ------
+        float, Miller's delta for 14 (ijk = xyz) component.
+
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+        theta_rad = 0 # This is an arbitrary value since n of o-wave does not depends on theta.
+        # chi : linear susceptibility
+        chi_wl1o = self.n(wl1, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3o = self.n(wl3, theta_rad, T_degC, pol='o')**2 - 1
+        return d14_known / (chi_wl3o * chi_wl2o * chi_wl1o)
+
+    def d14_sfg(self, wl1, wl2, T_degC, delta14=0):
+        """
+        d11 coefficient as a function of two pump wavelengths for SFG.
+
+        Parameters
+        ----------
+        wl1 : float, first pump wavelength in µm.
+        wl2 : float, second pump wavelength in µm.
+        T_degC : crystal temperature in degC.
+
+        return
+        ------
+        float, d14 coefficient (pm/V).
+
+        """
+
+        wl3 = 1./(1./wl1 + 1./wl2)
+        theta_rad = 0 # This is an arbitrary value since n of o-wave does not depends on theta.
+        chi_wl1e = self.n(wl1, theta_rad, T_degC, pol='e')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3e = self.n(wl3, theta_rad, T_degC, pol='e')**2 - 1
+        return delta14 * chi_wl3e * chi_wl2o * chi_wl1e
+    
+    def deff_sfg(self, wl1, wl2, theta_rad, phi_rad, T_degC, pol1, pol2, pol3):
+        """
+        Effective second-order nonlinear coefficient, d_eff, of SFG.
+        Wavelength dependence is estimated from Miller's rule.
+
+        Parameters
+        ----------
+        wl1  :  float, first pump wavelength in µm.
+        wl2  : float, second pump wavelength in µm.
+        T_degC : float, crystal temperature in degC.
+        pol1 : str, {'o', 'e'}, polarization of the 1st pump wave.
+        pol2 : str, {'o', 'e'}, polarization of the 2nd pump wave.
+        pol3 : str, {'o', 'e'}, polarization of the sum-frequency wave.
+
+        return
+        ------
+        float, Effective d coefficient (pm/V).
+
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+        _d11 = self.d11_sfg(wl1, wl2, T_degC)
+        _d14 = self.d14_sfg(wl1, wl2, T_degC)
+        rho3 = self.woa_theta(wl3, theta_rad, T_degC, pol=pol3)
+        # For negative uniaxial type-I (ooe),
+        if pol1 == 'o' and pol2 == 'o' and pol3 == 'e':
+            deff = _d11 * np.cos(3*phi_rad) * np.cos(theta_rad + rho3)
+        
+        # For negative uniaxial type-II (oee),
+        elif pol1 == 'o' and pol2 == 'e' and pol3 == 'e':
+            rho2 = self.woa_theta(wl2, theta_rad, T_degC, pol=pol2)
+            deff = _d11 * np.sin(3*phi_rad) * np.cos(theta_rad + rho2) * np.cos(theta_rad + rho3)\
+                + _d14 * np.sin(theta_rad + rho2) * np.cos(theta_rad + rho3)
+        
+        # For negative uniaxial type-II (eoe),
+        elif pol1 == 'e' and pol2 == 'o' and pol3 == 'e':
+            rho1 = self.woa_theta(wl1, theta_rad, T_degC, pol=pol1)
+            deff = _d11 * np.sin(3*phi_rad) * np.cos(theta_rad + rho1) * np.cos(theta_rad + rho3)\
+                + _d14 * np.sin(theta_rad + rho1) * np.cos(theta_rad + rho3)
+        
+        else:
+            raise ValueError("For negative uniaxial crystals,pol1, pol2, pol3 must be among {ooe, oee, eoe}.")
+
+        return deff

ndispers/groups/_uniax_neg_3m.py

@@ -0,0 +1,172 @@
+from ndispers._baseclass import Medium
+import numpy as np
+
+class Uniax_neg_3m(Medium):
+    """
+    Class of negative uniaxial crystals of point group 3m.
+
+    d = [[   0,   0,   0,   0, d15, -d22 ],
+         [ -d22, d22,  0,  d15,  0,   0  ],
+         [  d31, d31, d33,  0,   0,   0  ]]
+      = [d_il]
+        i = 1,2,3 (1=x, 2=y, 3=z)
+        l = 1,2,...,6 (1=xx, 2=yy, 3=zz, 4=yz, 5=zx, 6=xy)
+
+    Under the Kleinman symmetry,
+    dxzx = dzxx, or d15 = d31.
+    Nonzero independent elements are d22(=-d16), d31(=d15) and d33.
+    (d33 does not come up in deff since its geometric factor is zero for all the interaction types.)
+
+    """
+
+    def __init__(self):
+        super().__init__()
+
+    def delta22(self, d22_known, wl1, wl2, T_degC):
+        """
+        Miller' delta for d22 coefficient (ijk = yyy).
+
+        Note
+        ----
+        This value is almost constant and can be used to estimate wavelength dependence of d22
+        from a known d22 of SFG with wl1 and wl2 as two pump wavelengths (Miller's rule).
+        For yyy, two pump (wl1, wl2) and sum-frequency (wl3) waves are all ordinary waves.
+
+        Parameters
+        ----------
+        d22_known : float, second-order nonlinear coefficient, d22, known from literature.
+        wl1 : float, first pump wavelength in µm for the d22
+        wl2 : float, second pump wavelength in µm for the d22
+        T_degC : float, crystal temperature in degC.
+
+        return
+        ------
+        float, Miller's delta for 22 (ijk = yyy) component.
+
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+        theta_rad = 0 # This is an arbitrary value since n of o-wave does not depends on theta.
+        # chi : linear susceptibility
+        chi_wl1o = self.n(wl1, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3o = self.n(wl3, theta_rad, T_degC, pol='o')**2 - 1
+        return d22_known / (chi_wl3o * chi_wl2o * chi_wl1o)
+
+    def d22_sfg(self, wl1, wl2, T_degC, delta22=0):
+        """
+        d22 coefficient as a function of two pump wavelengths for SFG.
+
+        Parameters
+        ----------
+        wl1 : float, first pump wavelength in µm.
+        wl2 : float, second pump wavelength in µm.
+        T_degC : crystal temperature in degC.
+
+        return
+        ------
+        float, d22 coefficient (pm/V).
+
+        """
+
+        wl3 = 1./(1./wl1 + 1./wl2)
+        theta_rad = 0 # This is an arbitrary value since n of o-wave does not depends on theta.
+        chi_wl1o = self.n(wl1, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3o = self.n(wl3, theta_rad, T_degC, pol='o')**2 - 1
+        return delta22 * chi_wl3o * chi_wl2o * chi_wl1o
+    
+    def delta31(self, d31_known, wl1, wl2, T_degC):
+        """
+        Miller' delta for d31 coefficient (ijk = zxx).
+
+        Note
+        ----
+        This value is almost constant and can be used to estimate wavelength dependence of d31
+        from a known d31 of SFG with wl1 and wl2 as two pump wavelengths (Miller's rule).
+        For zxx, two pump waves are ordinary and the SF wave is extra-ordinary.
+
+        Parameters
+        ----------
+        d31_known : float, second-order nonlinear coefficient, d31, known from literature.
+        wl1 : float, first pump wavelength in µm for the d31
+        wl2 : float, second pump wavelength in µm for the d31
+        T_degC : float, crystal temperature in degC.
+
+        return
+        ------
+        float, Miller's delta for 31 (ijk = zxx) component.
+
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+        pmAngles = self.pmAngles_sfg(wl1, wl2, T_degC)
+        theta_rad = pmAngles['ooe']['theta'][0] # rad
+        chi_wl1o = self.n(wl1, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3e = self.n(wl3, theta_rad, T_degC, pol='e')**2 - 1
+        return d31_known / (chi_wl3e * chi_wl2o * chi_wl1o)
+    
+    def d31_sfg(self, wl1, wl2, T_degC, delta31=0):
+        """
+        d31 coefficient as a function of two pump wavelengths for SFG.
+
+        Parameters
+        ----------
+        wl1 : float, first pump wavelength in µm.
+        wl2 : float, second pump wavelength in µm.
+        T_degC : float, crystal temperature in degC.
+
+        return
+        ------
+        float, d31 coefficient (pm/V).
+
+        """
+
+        wl3 = 1./(1./wl1 + 1./wl2)
+        pmAngles = self.pmAngles_sfg(wl1, wl2, T_degC)
+        theta_rad = pmAngles['ooe']['theta'][0] # rad
+        chi_wl1o = self.n(wl1, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl2o = self.n(wl2, theta_rad, T_degC, pol='o')**2 - 1
+        chi_wl3e = self.n(wl3, theta_rad, T_degC, pol='e')**2 - 1
+        return delta31 * chi_wl3e * chi_wl2o * chi_wl1o
+    
+    def deff_sfg(self, wl1, wl2, theta_rad, phi_rad, T_degC, pol1, pol2, pol3):
+        """
+        Effective second-order nonlinear coefficient, d_eff, of SFG.
+        Wavelength dependence is estimated from Miller's rule.
+
+        Parameters
+        ----------
+        wl1  :  float, first pump wavelength in µm.
+        wl2  : float, second pump wavelength in µm.
+        T_degC : float, crystal temperature in degC.
+        pol1 : str, {'o', 'e'}, polarization of the 1st pump wave.
+        pol2 : str, {'o', 'e'}, polarization of the 2nd pump wave.
+        pol3 : str, {'o', 'e'}, polarization of the sum-frequency wave.
+
+        return
+        ------
+        float, Effective d coefficient (pm/V).
+
+        """
+        wl3 = 1./(1./wl1 + 1./wl2)
+        _d31 = self.d31_sfg(wl1, wl2, T_degC)
+        _d22 = self.d22_sfg(wl1, wl2, T_degC)
+        rho3 = self.woa_theta(wl3, theta_rad, T_degC, pol=pol3)
+        # For negative uniaxial type-I (ooe),
+        if pol1 == 'o' and pol2 == 'o' and pol3 == 'e':
+            deff = _d31 * np.sin(theta_rad + rho3) - _d22 * np.cos(theta_rad + rho3) * np.sin(3*phi_rad)
+        
+        # For negative uniaxial type-II (oee),
+        elif pol1 == 'o' and pol2 == 'e' and pol3 == 'e':
+            rho2 = self.woa_theta(wl2, theta_rad, T_degC, pol=pol2)
+            deff = _d22 * np.cos(theta_rad + rho2) * np.cos(theta_rad + rho3) * np.cos(3*phi_rad)
+        
+        # For negative uniaxial type-II (eoe),
+        elif pol1 == 'e' and pol2 == 'o' and pol3 == 'e':
+            rho1 = self.woa_theta(wl1, theta_rad, T_degC, pol=pol1)
+            deff = _d22 * np.cos(theta_rad + rho1) * np.cos(theta_rad + rho3) * np.cos(3*phi_rad)
+        
+        else:
+            raise ValueError("For negative uniaxial crystals,pol1, pol2, pol3 must be among {ooe, oee, eoe}.")
+
+        return deff

ndispers/helper.py

@@ -0,0 +1,35 @@
+import numpy as np
+
+def vars2(obj):
+    return {k: getattr(obj, k) for k in obj.__slots__}
+
+def returnShape(*args):
+    return np.broadcast(*args).shape
+
+def arg_signchange(a):
+    a_sign = np.sign(a)
+    if_signflip = ((np.roll(a_sign, 1) - a_sign) != 0).astype(int)
+    if_signflip[0] = 0
+    arg_signflip = np.where(if_signflip == 1)
+    return arg_signflip
+
+from scipy.interpolate import interp1d
+def resample(x, y, N=1, kind='linear'):
+    x = np.asarray(x)
+    y = np.asarray(y)
+    y_func = interp1d(x, y, kind=kind)
+    x_new = np.linspace(x[0], x[-1], x.size * N)
+    y_new = y_func(x_new)
+    return x_new, y_new
+
+def fullWidth(x_ar, y_ar, threshold=0.5, N=1):
+    x, y = resample(x_ar, y_ar, N=N)
+    idx_3dB = np.where(y >= np.max(y) * threshold)
+    x_3dB = x[idx_3dB]
+    width_3dB = x_3dB[-1] - x_3dB[0]
+    return width_3dB
+
+def peak_position(x_ar, y_ar, N=1):
+    x, y = resample(x_ar, y_ar, N=N)
+    idx_peak = np.argmax(y_ar)
+    return x_peak[idx_peak]

ndispers/media/__init__.py

@@ -0,0 +1,6 @@
+"""
+ndispers.media contains the collections of specific crystals and glasses.
+"""
+from . import crystals
+from . import glasses
+