[h5md-user] Species Data Type

[Nicolas Höft]

Hi,
I've started making a simulation involving 'real' atoms.
To distinguish the atom type, I use the particle species. From a simulator  
point of view the number type of the species makes perfectly sense. But   
when one has a lot of different atom type the H5MD species type (number)  
becomes very impractical from a users point of view because it is hard to  
remember (and see) what species was what Atom type.

A more useful identification in my case would be the short name of the  
Atom (e.g. H, Ar and so on). This would also be in line with the often  
used descriptions in mixtures of the particle types ("A", "B", .. ).

One solution to allow this kind of species identification is to drop the  
constraint ", and is of scalar integer data type".

Best regards,
Nicolas