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Fixed JSON

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This commit is contained in:
Anthony Scemama 2021-05-24 15:45:30 +02:00
parent c5779f17f9
commit 1618441112
2 changed files with 42 additions and 42 deletions
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8
trex.json
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@ -50,10 +50,10 @@
} ,
"ao": {
"num" : [ "int" , [] ]
, "cartesian" : [ "int" , [] ]
, "shell" : [ "int" , [] ]
, "normalization" : [ "float", [] ]
"cartesian" : [ "int" , [] ]
, "num" : [ "int" , [] ]
, "shell" : [ "int" , [ "ao.num" ] ]
, "normalization" : [ "float", [ "ao.num" ] ]
} ,
"ao_1e_int": {

6
trex.org
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@ -46,8 +46,8 @@ written in C.
the number of \uparrow and \downarrow electrons is fixed.
#+NAME:electron
| ~up_num~ | ~int~ | Number of \uparrow-spin electrons |
| ~dn_num~ | ~int~ | Number of \downarrow-spin electrons |
| ~up_num~ | ~int~ | | Number of \uparrow-spin electrons |
| ~dn_num~ | ~int~ | | Number of \downarrow-spin electrons |
#+CALL: json(data=electron, title="electron")
#+RESULTS:
@ -203,10 +203,10 @@ written in C.
"basis": {
"type" : [ "str" , [] ]
, "shell_num" : [ "int" , [] ]
, "shell_factor" : [ "float", [ "basis.shell_num" ] ]
, "shell_center" : [ "int" , [ "basis.shell_num" ] ]
, "shell_ang_mom" : [ "int" , [ "basis.shell_num" ] ]
, "shell_prim_num" : [ "int" , [ "basis.shell_num" ] ]
, "shell_factor" : [ "float", [ "basis.shell_num" ] ]
, "prim_index" : [ "int" , [ "basis.shell_num" ] ]
, "prim_num" : [ "int" , [] ]
, "exponent" : [ "float", [ "basis.prim_num" ] ]