[ase-users] Re: get_magnetic_moment vs read_magnetic_moment, etc ..

[Jonas Björk]

Hi Chaitanya,

The read methods simply open the necessary Vasp generated file, and
picks out the information we want. 

The get methods are the standard ASE get methods for a calculators.
These first looks if anything in the systems has changed since last
calculation, if it's needed a calculation is performed, the results read
in with the read method. Finally the get method spits out the result. 

It looks like both abinit and siesta has a read method which reads
results from some output file. I have instead of making one big read
method for all the results, divided smaller read methods, which gets
different results.

I hope this makes it more understandable. 

Best regards,
Jonas


On Thu, 2008-09-18 at 13:53 +0200, Chaitanya Krishna wrote:
> Hi Jonas,
> 
> I was going through vasp6.py and I don't understand one thing.
> 
> What is the difference between the get methods and the read methods?
> 
> I didn't see the read methods in either abinit.py or siesta.py.
> 
> Regards,
> Chaitanya.