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number of excitations on chromophores #2

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cstein opened this issue Dec 5, 2018 · 0 comments
Open

number of excitations on chromophores #2

cstein opened this issue Dec 5, 2018 · 0 comments
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cstein commented Dec 5, 2018

One specifies which molecules are to be treated in SPECTRE using the -c option. It would be incredibly useful to when specifying the number of excitations that they are either

  • a single number of excitations for all chromophores, i.e. -n 5
  • one number for each item specified with the -coption, i.e. -c LIG WAT -n 10 2
@cstein cstein self-assigned this Dec 5, 2018
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