Hi Ron,
We did actually fix this issue for the new update that is coming soon. Let
me know if you have any issues with your fix and I can give you the updated
version of that file.
Thanks,
Patrick
On Friday, August 21, 2015, Cohen, Ronald rco...@carnegiescience.edu
wrote:
I think the attached
Hi there Ana,
If you just need a file translator, you might want to consider using Open
Babel directly: http://openbabel.org/wiki/Main_Page
Avogadro uses Open Babel for a lot of its file translations. After you
compile/install open Babel and get the executables, you just need to run
something
Hello Avogadro community!
I've been working on implementing some extended Huckel theory calculations
into Avogadro through YAeHMOP. It's pretty exciting what you can do with it!
I've mostly been implementing band structures, but I'm moving to density of
states next. Molecular orbitals should
Hey Avogadro community!
Just wanted to provide an update for GSoC. I was fortunately able to pass!
I added a lot of features to Avogadro 2 that will probably be helpful for
materials science groups. Here is a list of the primary features I was able
to add:
- Added POSCAR (from Vienna Ab
I have assigned “C:\Program Files (x86)\Avogadro\bin\avogadro.exe”
> to open the Gaussian output files by default. If I open an output
> file using Avogadro by directly clicking the file, I cannot use the force
> fields. Not sure what is wrong.
>
>
>
> Cheers,
>
>
One factor is that you probably don't want to use
github.com/cryos/avogadro-squared
The main avogadro repo is here: https://github.com/cryos/avogadro
You might want to try compiling it again with that one instead. Just make
sure openbabel and the other dependencies are found.
Patrick
On Tue,
