Skip to content
Snippets Groups Projects
Commit 60e14f14 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

add comment to msi2lmp README about symmetry limitations

parent 81e7d4a9
No related branches found
No related tags found
No related merge requests found
Hide whitespace changes
Inline Side-by-side
Showing
with 2 additions and 0 deletions
tools/msi2lmp/README
+ 2
− 0
View file @ 60e14f14
...@@ -140,6 +140,8 @@ msi2lmp has the following known limitations: ...@@ -140,6 +140,8 @@ msi2lmp has the following known limitations:
- there is no support for auto-equivalences to supplement fully - there is no support for auto-equivalences to supplement fully
parameterized interactions with heuristic ones parameterized interactions with heuristic ones
- there is no support for bond increments - there is no support for bond increments
- there is no support for coordinates defined by symmetry operations,
i.e. the .mdf file has to be set up for space group P1
------------------------------------------------------------------------ ------------------------------------------------------------------------
......
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment