Re: [cclib-devel] Atommasses

[Noel O'B. <bao...@gm...>]

On 16 March 2011 13:45, Karol M. Langner <kar...@gm...> wrote:
> On Wed, Mar 16, 2011 at 12:11:34PM +0000, Noel O'Boyle wrote:
>> On 16 March 2011 09:37, Noel O'Boyle <bao...@gm...> wrote:
>> > On 16 March 2011 09:36, Karol M. Langner <kar...@gm...> wrote:
>> >> On Mon, Mar 14, 2011 at 11:53:20AM +0000, Noel O'Boyle wrote:
>> >>> Hi Karol,
>> >>>
>> >>> I'm just updating the changelog for cclib-1.0.1 and I see that you
>> >>> added a new attribute atommasses in r296. Can you update the wiki with
>> >>> information on this?
>> >>>
>> >>> - Noel
>> >>
>> >> Sure. I can't seem to edit pages on the wiki. Does that have something to
>> >> do with the recent software change?
>> >
>> > Probably - have you logged into SourceForge first, and then tried?
>>
>> It's looks like I needed to give you permissions - you're now an
>> editor and admin. It seems that an account is only created when you
>> visit the wiki for the first time. Then one of the wiki admins can
>> give permissions to the account.
>
> Works now. I added atommasses to both 'parsed data' pages, as I understand it made
> it into 1.0.1. The coverage is quite low among the parsers...

That's right. 1.0.1 is basically trunk.

A quick question: should every Gaussian calculation have atommasses set?

- Noel