Marcus D. Hanwell

Results 170 comments of Marcus D. Hanwell

I will take a look at this, I don't think any of the files I tested with made any loss/duplication of the first/last frames all that obvious. Original comment by:...

Moving house and jobs has delayed my progress... I will try to hunt down some useful example files to debug this issue before tagging our next release. We are pushing...

I have also tried other ways to save this file. Such as, selecting each piece, inverting the selection, deleting the rest of the molecule and just saving each piece that...

Same problem also for me on Mac OS X Snow Leopard: a mixed interface in english and italian. I agree with you: the application MUST use the default language used...

I've now installed the newer version 1.10 and it works now :-) Original comment by: *anonymous

We have removed jsoncpp, and will not be using it in future. On the whole we have favored never bringing things in, but a few small utilities are in thirdparty....

I will find you on a slack channel, and we can start getting this in, I think gau2grid supports all of the compilers we need now, and I have cycles...

This seems to have unrelated changes adding a molecule information dialog. It would be good to separate that out.

We do already have a [cube file reader](https://github.com/OpenChemistry/avogadrolibs/blob/master/avogadro/quantumio/gaussiancube.cpp), I would be happy to help you as you develop CHGCAR, we have some VASP readers already.

We just haven't added default code to visualize volumetric data, I think this could use some improvement. The cube data is loaded, you need to create a surface. I don't...