Parallelization

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Parallelization

Postby jiten.phy » Sat Jan 20, 2018 9:20 am

Hello everyone,
I am new to EasySpin and below is my first ever code in EasySpin. The system is a CuPc molecule with Cu(2+) having a unpaired electron in a hyperfine interaction with Copper nucleus and four neighboring nitrogen nucleus. The problem is of too much simulation time. Is this code can be parallelized; if yes, then how? One more doubt, can I get echo amplitude versus magnetic field with EasySpin?

Thanking You.
Jitendra

Code: Select all
Exp.Sequence = '2pESEEM';
Exp.Field = 330;
Exp.dt = 0.010;
Exp.tau = 0.1;
Exp.T = 0.06;

Sys.S = 1/2;
Sys.g =[2.039 2.039 2.1577];

Sys.Nucs = '63Cu,14N,14N,14N,14N';           
Sys.A = [-83 -83 -648; 57 45 45; 57 45 45; 57 45 45; 57 45 45];

saffron(Sys,Exp);
jiten.phy
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Posts: 1
Joined: Thu Jan 18, 2018 9:06 am

Re: Parallelization

Postby Stefan Stoll » Thu Jan 25, 2018 11:07 pm

This is a large spin system, so it is not surprising that it takes some time. Did you look into the option Opt.ProductRule?
Stefan Stoll
EasySpin Creator
 
Posts: 540
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington


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