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README.md
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README.md
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# Download
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1. Clone repository with `git clone https://gitea.pkm.physik.tu-darmstadt.de/NMRRWSims/cpp.git`
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2. After download, change permissions of build.sh in terminal with `chmod a+x build.sh`
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# Setup the simulation
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The workflows leaves yet much to be desired, it will become better (maybe)
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## Changes in `test.py`
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1. To run spectra, add `-spectrum` in line 14
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2. To run STE, add `-ste` in line 14
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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)
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4. Comment / Uncomment `post_process_ste` or `post_process_spectrum`.
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## Change of models
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1. In `main.cpp`, uncomment the motional model and distribution of correlation times you want to use, comment every other model
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## Setting more parameters in `config.txt`
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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.
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# Running
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**Because filenames are always the same, previous simulations and results are overwritten!**
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1. Execute `build.sh` (in terminal with `./build.sh`). It compiles the source code and executes test.py
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