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Create presets for common computational chemistry softwares #47

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caprilesport opened this issue Feb 3, 2024 · 0 comments
Open

Create presets for common computational chemistry softwares #47

caprilesport opened this issue Feb 3, 2024 · 0 comments

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@caprilesport
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Create a minimum preset for each common computational chemistry software suite.

Some that are still missing are:

  • DALTON
  • GAMESS
  • NWChem (improve)
  • psi4
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@caprilesport