[ghemical-devel] gcc4

Tommi Hassinen thassine at messi.uku.fi
Wed Mar 22 04:06:43 EST 2006


On Tue, 21 Mar 2006, Donald Ephraim Curtis wrote:

> using x86
>
> well, i looks like in model.h: class moldyn needed to be defined, after i 
> defined that it seemed to work ok since WriteTrajectoryFrame has a 'moldyn' 
> parameter, according to the cvs diff that hasn't changed.

Hello,

recently I changed the way how trajectory files are read and written ; now 
if in the engine class a boundary potential or periodic boundary 
conditions are defined, then information about these are also written into 
the trajectory files.

So, ghemical-1 and ghemical-2 will have different trajectory file formats. 
The files have a version identifier, so it is possible to read older 
files as well, but I have not yet added such a version check ; I guess I 
should before the release...

> anyways heres a patch:

Ok, thanks, I'll add this fix.

 	Tommi



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