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Re: [h5md-user] New commits, "id" and rc
From: |
Peter Colberg |
Subject: |
Re: [h5md-user] New commits, "id" and rc |
Date: |
Tue, 31 Jul 2012 12:27:37 -0400 |
User-agent: |
Mutt/1.5.21 (2010-09-15) |
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"})
Peter