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README.md

Download

  1. Clone repository with git clone https://gitea.pkm.physik.tu-darmstadt.de/NMRRWSims/cpp.git
  2. After download, change permissions of build.sh in terminal with chmod a+x build.sh

Setup the simulation

The workflows leaves yet much to be desired, it will become better (maybe)

Changes in test.py

  1. To run spectra, add -spectrum in line 14
  2. To run STE, add -ste in line 14
  3. Change values for tau, line broadening and pulse length in lines 88-90 (to simulate one tau value, set length of array to 1)
  4. Comment / Uncomment post_process_ste or post_process_spectrum.

Change of models

  1. In main.cpp, uncomment the motional model and distribution of correlation times you want to use, comment every other model

Setting more parameters in config.txt

  1. Change the values of delta, eta, mixing times, echo times,... in this file. If a paramter is defined multiple times, only the last one is used.

Running

Because filenames are always the same, previous simulations and results are overwritten!

  1. Execute build.sh (in terminal with ./build.sh). It compiles the source code and executes test.py