Marcus D. Hanwell

Results 29 issues of Marcus D. Hanwell

Your file import is broken on windows platform. Although windows file system is not case sensitive, your import filters are. Gaussian formatted checkpoint files are .FChk by default. You must...

auto-migrated
bug
Windows

Hi! I just started to use Avogadro so maybe I'm just missing it. I'm building a molecule piecewise. I've build the pieces in separate files and have copy/paste them into...

auto-migrated
bug

I'm using Avogadro in Kubuntu 13.04. I live in Turkey but use my OS in English. Kde language preferences shows a single language chosen that is En_US. But somehow Avogadro...

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bug
translation

Hello, I'm not sure wether it is a bug but I get an error with a very simple python program whereas other python interpreter don't have a problem with it....

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bug
Python

libavogadro.so interrogates for MOPAC2009, fails. Current MOPAC executable is MOPAC2012.exe. The mopacPath could be made mutable, set by environment variable or command line argument, leaving the hard-coded string as default....

auto-migrated
bug

We currently only go up to f, and should aim for at least g and h for current codes. Reordering, and normalization could also use some work and/or verification, but...

enhancement

We have initial support for creating volumes using the RGB channels when identically sized volumes are loaded. We need to add support to the slice module, volume module etc to...

enhancement

The Tomviz interface is far too quiet, we should work to provide timely updates in the status bar, and probably in the application log. Especially for large data sets it...

enhancement

Add something to list all packages.

There is an issue described [here](https://gitlab.kitware.com/vtk/vtk/issues/17727) that Tomviz suffers from. We have had various reports, I don't have a machine where this happens but we should try and improve our...

bug