From 2a04e41287dd9b86e5fcce026da8bef296933481 Mon Sep 17 00:00:00 2001 From: Andrew Schultz Date: Fri, 12 Jul 2019 22:43:05 -0400 Subject: [PATCH] Add pointers between doc pages for compute hma and dynamical matrix --- doc/src/compute_hma.txt | 6 +++++- doc/src/dynamical_matrix.txt | 3 +++ 2 files changed, 8 insertions(+), 1 deletion(-) diff --git a/doc/src/compute_hma.txt b/doc/src/compute_hma.txt index 35a92664df..863ee86159 100644 --- a/doc/src/compute_hma.txt +++ b/doc/src/compute_hma.txt @@ -159,7 +159,7 @@ scalar value will be in energy "units"_units.html. [Restrictions:] -This compute is distributed as the USER-HMA package. It is only +This compute is part of the USER-MISC package. It is only enabled if LAMMPS was built with that package. See the "Build package"_Build_package.html doc page for more info. @@ -169,6 +169,10 @@ Usage restricted to canonical (NVT) ensemble simulation only. "compute pe"_compute_pe.html, "compute pressure"_compute_pressure.html +"dynamical matrix"_dynamical_matrix.html provides a finite difference +formulation of the hessian provided by Pair's single_hessian, which is used by +this compute. + [Default:] none :line diff --git a/doc/src/dynamical_matrix.txt b/doc/src/dynamical_matrix.txt index a7dc4e442e..6291bdec52 100644 --- a/doc/src/dynamical_matrix.txt +++ b/doc/src/dynamical_matrix.txt @@ -47,6 +47,9 @@ package"_Build_package.html doc page for more info. "fix phonon"_fix_phonon.html +"compute hma"_compute_hma.html uses an analytic formulation of the hessian +provided by Pair's single_hessian. + [Default:] The default settings are file = "dynmat.dyn", binary = no