From e3de43f2b0ba2e1b21cce9a514c10eb3da5c093f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 13 Mar 2025 22:25:14 -0400 Subject: [PATCH] modernize use of \it and \sf --- doc/src/compute_sna_atom.rst | 6 +++--- doc/src/minimize.rst | 12 ++++++------ 2 files changed, 9 insertions(+), 9 deletions(-) diff --git a/doc/src/compute_sna_atom.rst b/doc/src/compute_sna_atom.rst index d0c76dd4ca..2f8c4c4f5d 100644 --- a/doc/src/compute_sna_atom.rst +++ b/doc/src/compute_sna_atom.rst @@ -139,11 +139,11 @@ mapped on to a third polar angle :math:`\theta_0` defined by, .. math:: - \theta_0 = {\sf rfac0} \frac{r-r_{min0}}{R_{ii'}-r_{min0}} \pi + \theta_0 = \mathsf{rfac0} \frac{r-r_{min0}}{R_{ii'}-r_{min0}} \pi In this way, all possible neighbor positions are mapped on to a subset -of the 3-sphere. Points south of the latitude :math:`\theta_0` = -*rfac0* :math:`\pi` are excluded. +of the 3-sphere. Points south of the latitude +:math:`\theta_0 = \mathsf{rfac0} \pi` are excluded. The natural basis for functions on the 3-sphere is formed by the representatives of *SU(2)*, the matrices :math:`U^j_{m,m'}(\theta, \phi, diff --git a/doc/src/minimize.rst b/doc/src/minimize.rst index c201e53340..84ee4b99fc 100644 --- a/doc/src/minimize.rst +++ b/doc/src/minimize.rst @@ -108,12 +108,12 @@ potential energy of the system as a function of the N atom coordinates: .. math:: - E(r_1,r_2, \ldots ,r_N) = & \sum_{i,j} E_{\it pair}(r_i,r_j) + - \sum_{ij} E_{\it bond}(r_i,r_j) + - \sum_{ijk} E_{\it angle}(r_i,r_j,r_k) + \\ - & \sum_{ijkl} E_{\it dihedral}(r_i,r_j,r_k,r_l) + - \sum_{ijkl} E_{\it improper}(r_i,r_j,r_k,r_l) + - \sum_i E_{\it fix}(r_i) + E(r_1,r_2, \ldots ,r_N) = & \sum_{i,j} E_{pair}(r_i,r_j) + + \sum_{ij} E_{bond}(r_i,r_j) + + \sum_{ijk} E_{angle}(r_i,r_j,r_k) + \\ + & \sum_{ijkl} E_{dihedral}(r_i,r_j,r_k,r_l) + + \sum_{ijkl} E_{improper}(r_i,r_j,r_k,r_l) + + \sum_i E_{fix}(r_i) where the first term is the sum of all non-bonded :doc:`pairwise interactions ` including :doc:`long-range Coulombic