Re: [OpenBabel-Devel] Turbomole Format Reader Questions

2012-02-06 Thread Ian Kirker
On 6 February 2012 17:08, David Lonie wrote: > On Sun, Feb 5, 2012 at 4:28 PM, Chris Morley wrote: >> Although I'm not familiar with it, vaspformat seems to use a specified >> directory to open multiple input files in the way you suggested. It >> might be more difficult if you wanted to read more

Re: [OpenBabel-Devel] Turbomole Format Reader Questions

2012-02-06 Thread David Lonie
On Sun, Feb 5, 2012 at 4:28 PM, Chris Morley wrote: > On 05/02/2012 19:16, Ian Kirker wrote: >> So, I've been working on a fuller Turbomole format reader (I won't >> promise anything, I'm pretty new to proper C++ and it's probably going >> to take me a Good While to get to finishing it if I do), b

Re: [OpenBabel-Devel] Turbomole Format Reader Questions

2012-02-05 Thread Chris Morley
On 05/02/2012 19:16, Ian Kirker wrote: > So, I've been working on a fuller Turbomole format reader (I won't > promise anything, I'm pretty new to proper C++ and it's probably going > to take me a Good While to get to finishing it if I do), but there are > two things Turbomole does which I felt migh

[OpenBabel-Devel] Turbomole Format Reader Questions

2012-02-05 Thread Ian Kirker
So, I've been working on a fuller Turbomole format reader (I won't promise anything, I'm pretty new to proper C++ and it's probably going to take me a Good While to get to finishing it if I do), but there are two things Turbomole does which I felt might be an issue: 1) Turbomole input/output files