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How to add CSV output files?

Takafumi Shiraogawa edited this page Jul 14, 2021 · 1 revision

For example, energies.csv and dipoles.csv are created in analyse or analyse_general in physics.py.
pandas (imported as pd) can be used as

pd.DataFrame(result_energies).to_csv("energies.csv",index=False)

where result_energies is a dictionary.

  1. Modulate returned outputs of predict_all_targets_general in physics.py.
  2. Add outputs of analyse_general in physics.py.
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