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, 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, coefficients):
Contribution.__init__(self, nlfunc, weight)
self.coefficients = coefficients
def __init__(self, nlfunc, weight, functional='GGA_X_B88'):
Contribution.__init__(self, nlfunc, weight)
self.functional = functional
self.old_coeffs = None
self.iter = 0
