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Anthony Scemama 2020-03-30 18:06:21 +02:00
parent c01b984277
commit 4dccd121e0
2 changed files with 842 additions and 74 deletions
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Notebooks/F12_fast.ipynb
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Simulation.ml
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@ -35,7 +35,7 @@ let make ?cartesian:(cartesian=false)
Electrons.make ~multiplicity ~charge nuclei Electrons.make ~multiplicity ~charge nuclei
in in
let charge = let chargre =
Charge.(Nuclei.charge nuclei + Electrons.charge electrons) Charge.(Nuclei.charge nuclei + Electrons.charge electrons)
in in