ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Add pointers between doc pages for compute hma and dynamical matrix

Browse Source
This commit is contained in:
Andrew Schultz
2019-07-12 22:43:05 -04:00
parent 226e68a784
commit 2a04e41287
2 changed files with 8 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
doc/src/compute_hma.txt
View File

@ -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

3
doc/src/dynamical_matrix.txt
View File

@ -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