Difference between revisions of "Create.m"
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==Examples== | ==Examples== | ||
| − | A simple spin system specification | + | A simple spin system specification followed by a call to [[create.m]] appears below. There are hundreds of further examples in the example set. |
% Set the spin system | % Set the spin system | ||
| Line 29: | Line 29: | ||
inter.coordinates={[0.00 0.00 0.00]; | inter.coordinates={[0.00 0.00 0.00]; | ||
[0.00 0.00 2.00]}; | [0.00 0.00 2.00]}; | ||
| − | + | ||
% Magnet field | % Magnet field | ||
sys.magnet=14.1; | sys.magnet=14.1; | ||
| − | + | ||
% Relaxation theory parameters | % Relaxation theory parameters | ||
inter.relaxation={'redfield'}; | inter.relaxation={'redfield'}; | ||
| Line 39: | Line 39: | ||
inter.temperature=298; | inter.temperature=298; | ||
inter.tau_c={1e-9}; | inter.tau_c={1e-9}; | ||
| − | + | ||
% Proximity cut-off | % Proximity cut-off | ||
sys.tols.prox_cutoff=4.0; | sys.tols.prox_cutoff=4.0; | ||
| − | + | ||
% Spinach housekeeping | % Spinach housekeeping | ||
spin_system=create(sys,inter); | spin_system=create(sys,inter); | ||
Revision as of 14:48, 9 July 2019
The entry function of the Spinach kernel that creates the spin system object that the rest of the library requires to run. It checks and absorbs interaction specifications, and writes some useful diagnostics to the console.
Syntax
spin_system=create(sys,inter)
Arguments
sys - spin system and instrument specification structure, see the spin system specification section of the online manual inter - interaction specification structure, see see the spin system specification section of the online manual
Outputs
spin_system - the primary object used by Spinach to store simulation information
Examples
A simple spin system specification followed by a call to create.m appears below. There are hundreds of further examples in the example set.
% Set the spin system
sys.isotopes={'1H','1H'};
inter.zeeman.scalar={0.0 0.0};
inter.coordinates={[0.00 0.00 0.00];
[0.00 0.00 2.00]};
% Magnet field
sys.magnet=14.1;
% Relaxation theory parameters
inter.relaxation={'redfield'};
inter.equilibrium='dibari';
inter.rlx_keep='kite';
inter.temperature=298;
inter.tau_c={1e-9};
% Proximity cut-off
sys.tols.prox_cutoff=4.0;
% Spinach housekeeping
spin_system=create(sys,inter);
See also
basis.m, assume.m, operator.m, state.m, hamiltonian.m
Version 2.4, authors: Ilya Kuprov, Hannah Hogben, Konstantin Pervushin, Luke Edwards