From c30762ca8bfd35bb8554e2024ea57462298fa2e5 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Fri, 2 Jun 2023 19:44:37 +0300 Subject: [PATCH] Update documentation for compute stress/mop/profile --- doc/src/compute_stress_mop.rst | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/doc/src/compute_stress_mop.rst b/doc/src/compute_stress_mop.rst index b4c15257af..e1b151ebbd 100644 --- a/doc/src/compute_stress_mop.rst +++ b/doc/src/compute_stress_mop.rst @@ -68,7 +68,7 @@ Between one and six keywords can be used to indicate which contributions to the stress must be computed: total stress (total), kinetic stress (kin), configurational stress (conf), stress due to bond stretching (bond), stress due to angle bending (angle) and/or due to pairwise non-bonded interactions (pair). -The last three keywords are currently available only for the stress/mop command and not the stress/mop/profile. +The angle keyword is currently available only for the stress/mop command and not the stress/mop/profile. NOTE 1: The configurational stress is computed considering all pairs of atoms where at least one atom belongs to group group-ID. @@ -120,8 +120,8 @@ size does not change in time, and axis-aligned planes. The method only works with two-body pair interactions, because it requires the class method pair->single() to be implemented. In particular, compute *stress/mop/profile* does not work with more than -two-body pair interactions, intra-molecular interactions, and long range -(kspace) interactions. Similarly, compute *stress/mop* does not work with more than +two-body pair interactions, long range (kspace) interactions and angle/dihedral/improper +intramolecular interactions. Similarly, compute *stress/mop* does not work with more than two-body pair interactions, long range (kspace) interactions and dihedral/improper intramolecular interactions but works with all bond interactions with the class method single() implemented and all angle interactions with the class method born_matrix()