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Questions and discussions regarding the use of Qbox
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dingpan
Posts: 8
Joined: Mon Mar 23, 2015 9:48 pm

nglobal

Post by dingpan »

Hi Francois,

In my calculation, I need to access certain states.
In the source code, there are two equivalent methods:

1) In "SlaterDet::compute_density"
const int nn = ctxt_.mycol() * c_.nb() + n;

2) In "MDWavefunctionStepper::ekin_eh"
const int nglobal = sd->c().j(0,n);

It seems along a process row, each process has only one block.
Is it right?
Thank you!

Best regards,
Ding
fgygi
Site Admin
Posts: 150
Joined: Tue Jun 17, 2008 7:03 pm

Re: nglobal

Post by fgygi »

Hi Ding,
Yes, this is correct, there is only one block per process.
Francois
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