[gmx-developers] Tool to estimate the error for SPME

[Florian Dommert]

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On 08/25/2010 10:48 PM, Rossen Apostolov wrote:
>  Hi again,
> 
> I should have explained a bit more.
> 
> On 08/25/2010 10:40 PM, Rossen Apostolov wrote:
>>  Hi,
>>
>>> I haven't talked to Carsten so far, but this would be the next step. As
>>> soon as it is in the repository he also can easily access it and add a
>>> feature within g_tune_pme.
>>>
>>> So what should I do to merge the branches ? I have an updated master
>>> branch, added my files, updated the Makefile in src/tools and the
>>> citation database.
>>>
>>> /Flo
> At the moment we merge bugfixes (or add acceptable functionalities)
> first in the release-4-5-patches branch and then merge those into
> master, not the other way round. Since you have made your changes into
> the master branch (and also you can't push the changes to the
> repository), you have to make a patch as I wrote below, and then we can
> apply it to the release-4-5-branch.
> 
> Rossen
>

I currently tried your suggestions, but it seems the changes are not
incorporated in the patch. So I will pull a new git again. As I have
just to lines to edit in the Makefile of src/tools and in
src/gmxlib/copyrite.c it is no problem. If it is more easy for you I can
also apply the patch to the release branch.



>> 1. Make sure that all newly created files are added to the index, e.g.
>>
>> $ git add src/tools/g_pme_error.c
>>     (you can use wildcards too)
>>
>> 2. If you haven't committed your changes yet generate a patch by
>>
>> $ git diff HEAD > g_pme_error.patch
>>
>>     otherwise
>>
>> $ git diff HEAD^ HEAD > g_pme_error.patch
>>
>> Rossen
> 


- -- 
Florian Dommert
Dipl.-Phys.

Institute for Computational Physics

University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

Phone: +49(0)711/685-6-3613
Fax:   +49-(0)711/685-6-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert
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