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Mrsimulator

< Addition of angular momenta | Index | NMR.Nuclides >

• create virtualenv mrsimulator
  • python3 -m venv ~/.mrsimulator
• run source ~/.mrsimulator/bin/activate to activate .mrsimulator and deactivate to switch back to normal python environment
• after activation cd to git/mrsimulator and install
  • pip install ipython
  • pip install ipykernel
  • pip install jupyter
  • python -m ipykernel install --user --name .mrsimulator
  • cd to ~/git/mrsimulatro
  • pip install .

Altri comandi utili

• check kernels
  • jupyter kernelspec list
• [remove older attempt .nmrglue]
  • jupyter kernelspec uninstall .nmrglue
• remove venvs
  • da attivato:
  • pip freeze > requirements.txt
  • pip uninstall -r requirements.txt -y
  • deactivate
  • rm -r venvpath # requires y, when sure use \rm -r venvpath

< Addition of angular momenta | Index | NMR.Nuclides >