Summary.m

Prints various summaries on behalf of the spin system setup modules of Spinach kernel. Only the parameters supplied by the user are returned (if supplied); nothing new is calculated.

Syntax

    summary(spin_system,topic,header)

Arguments

    spin_system   - the spin system object for which the 
                    summary is needed

    topic         - topic of the summary: 'zeeman',
                    'pbc', 'couplings', 'rlx_rates_t1_t2', 
                    'rlx_rates_lindblad', 'rlx_rates_nott',
                    'rlx_rates_weiz', 'symmetry', 'basis',
                    'basis_settings', 'coordinates'

    header        - a string of text to precede the summary

Outputs

    this function prints to the console or to the user specified
    output via report.m function

Examples

Here's how a coordinate summary looks for strychnine.

\[roesy_strychnine > create > summary                ]  atomic coordinates (Angstrom)
\[roesy_strychnine > create > summary                ]  ======================================
\[roesy_strychnine > create > summary                ]  N    Spin     X         Y         Z   
\[roesy_strychnine > create > summary                ]  --------------------------------------
\[roesy_strychnine > create > summary                ]  1    1H    +2.734    -2.896    -0.426  
\[roesy_strychnine > create > summary                ]  2    1H    +5.075    -2.137    -0.780  
\[roesy_strychnine > create > summary                ]  3    1H    +5.663    +0.255    -0.501  
\[roesy_strychnine > create > summary                ]  4    1H    +3.914    +1.928    +0.114  
\[roesy_strychnine > create > summary                ]  5    1H    -0.600    +0.479    +1.319  
\[roesy_strychnine > create > summary                ]  6    1H    -0.326    +4.093    -0.078  
\[roesy_strychnine > create > summary                ]  7    1H    -0.686    +3.149    +1.362  
\[roesy_strychnine > create > summary                ]  8    1H    -1.749    +2.707    -1.336  
\[roesy_strychnine > create > summary                ]  9    1H    -0.086    +1.061    -1.587  
\[roesy_strychnine > create > summary                ]  10   1H    -2.223    +0.187    -2.284  
\[roesy_strychnine > create > summary                ]  11   1H    +0.010    -1.034    -2.430  
\[roesy_strychnine > create > summary                ]  12   1H    -1.358    -2.137    -2.430  
\[roesy_strychnine > create > summary                ]  13   1H    +0.389    -2.909    -0.854  
\[roesy_strychnine > create > summary                ]  14   1H    +1.032    -2.708    +1.774  
\[roesy_strychnine > create > summary                ]  15   1H    +0.606    -1.192    +2.580  
\[roesy_strychnine > create > summary                ]  16   1H    -1.287    -3.143    +2.354  
\[roesy_strychnine > create > summary                ]  17   1H    -1.751    -1.461    +2.050  
\[roesy_strychnine > create > summary                ]  18   1H    -2.974    -2.843    -1.045  
\[roesy_strychnine > create > summary                ]  19   1H    -3.433    -2.546    +0.623  
\[roesy_strychnine > create > summary                ]  20   1H    -4.460    -0.393    +0.811  
\[roesy_strychnine > create > summary                ]  21   1H    -3.853    +1.828    -1.077  
\[roesy_strychnine > create > summary                ]  22   1H    -4.533    +1.982    +0.550  
\[roesy_strychnine > create > summary                ]  ======================================

Notes

All output produced by this function may be silenced by setting sys.output='hush' in the Spinach input stream or by changing spin_system.sys.output='hush' at any point during the calculation.

See also

report.m, banner.m

Version 2.3, authors: Ilya Kuprov