Loading doc/src/angle_class2.rst +4 −4 Original line number Diff line number Diff line Loading @@ -38,10 +38,10 @@ The *class2* angle style uses the potential .. math:: E & = & E_a + E_{bb} + E_{ba} \\ E_a & = & K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4 (\theta - \theta_0)^4 \\ E_{bb} & = & M (r_{ij} - r_1) (r_{jk} - r_2) \\ E_{ba} & = & N_1 (r_{ij} - r_1) (\theta - \theta_0) + N_2 (r_{jk} - r_2) (\theta - \theta_0) E & = E_a + E_{bb} + E_{ba} \\ E_a & = K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4(\theta - \theta_0)^4 \\ E_{bb} & = M (r_{ij} - r_1) (r_{jk} - r_2) \\ E_{ba} & = N_1 (r_{ij} - r_1) (\theta - \theta_0) + N_2(r_{jk} - r_2)(\theta - \theta_0) where :math:`E_a` is the angle term, :math:`E_{bb}` is a bond-bond term, and :math:`E_{ba}` is a Loading doc/src/angle_dipole.rst +2 −2 Original line number Diff line number Diff line Loading @@ -71,8 +71,8 @@ couple generating a torque equivalent to the opposite of :math:`\vec{T_j}`: .. math:: -\vec{T_j} & = & \vec{r_{ij}} \times \vec{F_i}\\ \vec{F_j} & = & -\vec{F_i} \\ -\vec{T_j} & = \vec{r_{ij}} \times \vec{F_i} \\ \vec{F_j} & = -\vec{F_i} where :math:`\vec{F_i}` and :math:`\vec{F_j}` are applied on atoms :math:`i` Loading Loading
doc/src/angle_class2.rst +4 −4 Original line number Diff line number Diff line Loading @@ -38,10 +38,10 @@ The *class2* angle style uses the potential .. math:: E & = & E_a + E_{bb} + E_{ba} \\ E_a & = & K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4 (\theta - \theta_0)^4 \\ E_{bb} & = & M (r_{ij} - r_1) (r_{jk} - r_2) \\ E_{ba} & = & N_1 (r_{ij} - r_1) (\theta - \theta_0) + N_2 (r_{jk} - r_2) (\theta - \theta_0) E & = E_a + E_{bb} + E_{ba} \\ E_a & = K_2 (\theta - \theta_0)^2 + K_3 (\theta - \theta_0)^3 + K_4(\theta - \theta_0)^4 \\ E_{bb} & = M (r_{ij} - r_1) (r_{jk} - r_2) \\ E_{ba} & = N_1 (r_{ij} - r_1) (\theta - \theta_0) + N_2(r_{jk} - r_2)(\theta - \theta_0) where :math:`E_a` is the angle term, :math:`E_{bb}` is a bond-bond term, and :math:`E_{ba}` is a Loading
doc/src/angle_dipole.rst +2 −2 Original line number Diff line number Diff line Loading @@ -71,8 +71,8 @@ couple generating a torque equivalent to the opposite of :math:`\vec{T_j}`: .. math:: -\vec{T_j} & = & \vec{r_{ij}} \times \vec{F_i}\\ \vec{F_j} & = & -\vec{F_i} \\ -\vec{T_j} & = \vec{r_{ij}} \times \vec{F_i} \\ \vec{F_j} & = -\vec{F_i} where :math:`\vec{F_i}` and :math:`\vec{F_j}` are applied on atoms :math:`i` Loading
