diff --git a/mamonca/mc.pyx b/mamonca/mc.pyx index 5c2a018..ba913a8 100644 --- a/mamonca/mc.pyx +++ b/mamonca/mc.pyx @@ -70,20 +70,20 @@ cdef class MC: def set_heisenberg_coeff(self, coeff, i=None, j=None, deg=1, index=0): """ - Args: - coeff (float/list/ndarray/scipy.sparse): Heisenberg coefficient. - If a single number is given, the same parameter is applied - to all the pairs defined in me and neigh. Instead of - giving me and neigh, you can also give a n_atom x n_atom - tensor. - i (list/ndarray): list of indices i (s. def in the comment) - j (list/ndarray): list of indices j (s. def in the comment) - deg (int): polynomial degree - index (int): potential index for thermodynamic integration - (0 or 1; choose 0 if not thermodynamic integration) - Comment: - Heisenberg term is given by: -sum_ij coeff_ij*(m_i*m_j)^deg. - Beware of the negative sign. + Args: + coeff (float/list/ndarray/scipy.sparse): Heisenberg coefficient. + If a single number is given, the same parameter is applied + to all the pairs defined in me and neigh. Instead of + giving me and neigh, you can also give a n_atom x n_atom + tensor. + i (list/ndarray): list of indices i (s. def in the comment) + j (list/ndarray): list of indices j (s. def in the comment) + deg (int): polynomial degree + index (int): potential index for thermodynamic integration + (0 or 1; choose 0 if not thermodynamic integration) + Comment: + Heisenberg term is given by: -sum_ij coeff_ij*(m_i*m_j)^deg. + Beware of the negative sign. """ if i is None and j is None: n = self.c_mc.get_number_of_atoms() @@ -119,11 +119,11 @@ cdef class MC: def clear_heisenberg_coeff(self, index=0): """ - Args: - index (int): potential index for thermodynamic integration (0 or 1; choose 0 if - not thermodynamic integration) + Args: + index (int): potential index for thermodynamic integration (0 or 1; choose 0 if + not thermodynamic integration) - This function erases all the Heisenberg coefficients defined before. + This function erases all the Heisenberg coefficients defined before. """ self.c_mc.clear_heisenberg_coeff(index)