mailRe: CST branch

Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]



Posted by Edward d'Auvergne on July 28, 2010 - 17:08:

I can't remember where, it has been a long time since we discussed
this, but somewhere in the discussion I though we decided that the
code example from:

should be switched to match your suggestion of:[spin_index][interaction_index]

That way the major loop is the spin loop, and then we loop over each
spin-specific interaction (which can be variable).  So exactly the
code example you give.  Sorry for the confusion.



On 27 July 2010 19:51, Pavel Kaderavek <pavel.kaderavek@xxxxxxxxx> wrote:
Dear Edward,

we are a bit confused by last few posts. In the post:
it is suggested to consider the interactions as higher level than the spin
and build the data matrix as follows:[interaction_index][spin_index]
Based on this we created an example:
However, in the post:
the example was commented in the following way:
"The first index is the spin and the second is the interaction - your
example here has this around the other way."

As it seems to be a bit contradictory and we would like to clarify this
point. We think that the correct order of the indices should be like this:[spin_index][interaction_index]
as mentioned in the last reply.

Generally, the code suggested in:
could be used with the following modifications:

        # Create the data list of lists used to store the interaction
and spin specific data. = []
        for spin_index in xrange(self.num_spins):
            # Add an empty list for the spin.


            # Total number of ri (only sum for the first interaction).
            self.total_num_ri = self.total_num_ri + num_ri[spin_index]

            # Loop over the interactions.

            for int_index in xrange(self.num_interactions[spin_index]):
                # The ratio of gyromagnetic ratios.
                g_ratio = gh[spin_index][int_index] /

                # Append the class instance Data to the interaction

list for this spin.

Best regards,
Pavel & Petr

Related Messages

Powered by MHonArc, Updated Wed Jul 28 17:20:18 2010