git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7703 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2012-02-06 16:58:56 +00:00
parent c81b8c5d04
commit a3c28800f4
14 changed files with 597 additions and 486 deletions

View File

@ -1647,8 +1647,8 @@ derivative w.r.t. e_i, it follows that C_ij is also symmetric, with at
most 7*6/2 = 21 distinct elements.
At zero temperature, it is easy to estimate these derivatives by
deforming the cell in one of the six directions using the command
"displace_box"_displace_box.html and measuring the change in the
deforming the simulation box in one of the six directions using the
"change_box"_change_box.html command and measuring the change in the
stress tensor. A general-purpose script that does this is given in the
examples/elastic directory described in "this
section"_Section_example.html.