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Update README.md
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mvassaux authored Jun 20, 2021
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Expand Up @@ -47,12 +47,6 @@ python namd_adapt.py iteration+1
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The execution of namd_init.py and namd_analyse.py constitutes the iteration '0' of the adaptive sampling method (or the unique iteration of the non-adaptive sampling method). Subsequent iterations are executed using namd_look_ahead.py and namd_adapt.py, which require the specification of the iteration number (integer) to store the analysis and sampler data individually for each iteration.


We previously used fabsim to copy jobs back and forth from remote and execute jobs.
I've left the commands in (commented) because these tasks still need to be implemented.
FabSim could still be used, but with such large data files it may be impractical(?)

/plots.ipynb/ : jupyter notebook that was used for analysing the covidsim disease parameter sweep, this analysis should be relevant for this study
python-env.txt : python conda environment for reference
/template/ : simulation files modified to template with EasyVVUQ
/campaigns/ : where easyvvuq campaigns are stored
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