def __init__(self, nlfunc, weight, coefficients): Contribution.__init__(self, nlfunc, weight) self.coefficients = coefficients self.vt_sg = None self.vt_sG = None self.nt_sG = None self.D_asp = None self.Dresp_asp = None
def __init__(self, nlfunc, weight, functional='GGA_X_B88', width=None, eps=0.05, damp=1e-10): Contribution.__init__(self, nlfunc, weight) self.functional = functional self.old_coeffs = None self.iter = 0 self.damp = damp if width is not None: width = width / 27.21 self.eps = eps / 27.21 self.width = width
def __init__(self, nlfunc, weight, coefficients): Contribution.__init__(self, nlfunc, weight) d('In c_Response __init__', self) self.coefficients = coefficients self.vt_sg = None self.vt_sG = None self.nt_sG = None self.D_asp = None self.Dresp_asp = None self.Drespdist_asp = None self.just_read = False self.damp = 1e-10
def __init__(self, nlfunc, weight, coefficients): Contribution.__init__(self, nlfunc, weight) d("In c_Response __init__", self) self.coefficients = coefficients self.vt_sg = None self.vt_sG = None self.nt_sG = None self.D_asp = None self.Dresp_asp = None self.Drespdist_asp = None self.just_read = False self.damp = 1e-10
def __init__(self, nlfunc, weight, functional='GGA_X_B88', metallic=False): Contribution.__init__(self, nlfunc, weight) self.functional = functional self.old_coeffs = None self.iter = 0 self.metallic = metallic
def __init__(self, nlfunc, weight, functional = 'LDA'): Contribution.__init__(self, nlfunc, weight) self.functional = functional
def __init__(self, nlfunc, weight, coefficients): Contribution.__init__(self, nlfunc, weight) self.coefficients = coefficients
def __init__(self, nlfunc, weight, functional='LDA'): Contribution.__init__(self, nlfunc, weight) self.functional = functional
def __init__(self, nlfunc, weight, functional='GGA_X_B88'): Contribution.__init__(self, nlfunc, weight) self.functional = functional self.old_coeffs = None self.iter = 0