Parallelization
Posted: 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
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);