Le lundi 30 juillet 2007 à 09:04 +0300, Jonas Frantz a écrit :
Hi,
the problem here is that bodr is defining the vectors for each element, this
is
completely redundant as most of the crystal structures can be described as a
function of lattice structure (hcp, fcc, bcc and so on), the
On Jul 30 2007, Jean Bréfort wrote:
CML has two mechanisms for crystal structures.
(a) lattice and latticeVectors
(b) crystal and either scalar (6) or cellParameter(2)
Either of these should be able to support the requirement.
The example given below uses lattice and scalar. If these are CML
On Jul 30 2007, Jonas Frantz wrote:
Hi,
let me give you a recap of this whole mess as I see it:
I'll try to respond positively :-). We need to accept that whatever we do
in this area needs a lot of work from committed people. We have to devise
the systems, validate them, implement them as
Dear Jonas,
I did not receive your email directly, but as the one who made the
recent BODR releases, I do feel obliged to respond; if you are angry
at the BODR development, I take that personally. That's fine, but I
was not aware that I had let you down.
On 30 Jul 2007 14:34:21 +0100, Dr P.
