Unfortunately the CLI is not correct! I get:
Warning: Optimizer::Update: Error loading structure at
/home/ucfbcoh/XTALOPT/C12H12/200GPa//3x00051/
and when I look at that directory I find on the client:
ls /home/ucfbcoh/XTALOPT/C12H12/200GPa//3x00051/
3x00051 job.sh
I think the attached code I edited fixes this problem.
Ron
---
Ronald Cohen
Geophysical Laboratory
Carnegie Institution
5251 Broad Branch Rd., N.W.
Washington, D.C. 20015
rco...@carnegiescience.edu
office: 202-478-8937
skype: ronaldcohen
https://twitter.com/recohen3
On Wed, Aug 19, 2015 at 11:26 AM, Marcus Johansson mcode...@gmail.com wrote:
Hi
Was wondering if anyone has some input on rendering symmetry elements in
Avogadro v2. There is a need for “disc” (mirror plane) and “vector” (rotation
axis) geometries as well as alpha in order to make things
Any chance someone could apply this patch to the avogadro v1 master symmetry
extension /libmsym?
https://github.com/mcodev31/libmsym/commit/b2945fa8a5d7027f6afd8297af465f61981b9ba3.patch
I don’t have a fork and pressed for time.
It won’t build with g++ only with clang (requires VLA).
Might
