Re: [h5md-user] New commits, "id" and rc

[Peter Colberg]

On Tue, Jul 31, 2012 at 12:27:37PM -0400, Peter Colberg wrote:
> On Tue, Jul 31, 2012 at 05:45:23PM +0200, Felix Höfling wrote:
> > @Peter: If I remember correctly, in HALMD/master the box group is
> > currently created in the trajectory group, which makes the iteration
> > over particle groups a bit cumbersome. So I was glad to see that it
> > is not so in the H5MD proposal (I already wanted to suggest moving
> > it somewhere else.)
> 
> I just checked this, HALMD conforms to the latest H5MD draft.
> 
> -- lua/halmd/mdsim/box.lua
> 
> 118         local writer = file:writer({location = {"observables", "box"}, 
> mode = "truncate"})
> 119         local group = assert(writer.group)
> 120         group:write_attribute("type", h5.string(), "cuboid")
> 121         writer:on_write(box.edges(self), {"edges"})
> 122         writer:on_write(box.origin(self), {"offset"})

Wait, actually it doesn't…

Right now we always write "edges" as a matrix, but the specification
says that "edges" should be a vector if type is "cuboid".

Peter