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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-11-03 20:54:07 +01:00
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Anthony Scemama 2024-03-20 15:02:18 +01:00
parent 3d00494a1b
commit 3df234004b

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@ -1454,20 +1454,6 @@ print("""#+end_src""")
#+end_src #+end_src
#+RESULTS: json
:results:
#+begin_src python :tangle trex.json
"nucleus": {
"num" : [ "dim" , [] ]
, "charge" : [ "float", [ "nucleus.num" ] ]
, "coord" : [ "float", [ "nucleus.num", "3" ] ]
, "label" : [ "str" , [ "nucleus.num" ] ]
, "point_group" : [ "str" , [] ]
, "repulsion" : [ "float", [] ]
} ,
#+end_src
:end:
#+begin_src python :tangle trex.json :results output drawer :exports none #+begin_src python :tangle trex.json :results output drawer :exports none
} }