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update the tangled block and example
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q-posev committed Oct 25, 2021
1 parent ca81d94 commit 60380da
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions trex.org
Original file line number Diff line number Diff line change
Expand Up @@ -304,7 +304,7 @@ power = [
, "prim_num" : [ "dim" , [] ]
, "shell_num" : [ "dim" , [] ]
, "nucleus_index" : [ "index", [ "basis.shell_num" ] ]
, "ang_mom" : [ "int" , [ "basis.shell_num" ] ]
, "shell_ang_mom" : [ "int" , [ "basis.shell_num" ] ]
, "shell_factor" : [ "float", [ "basis.shell_num" ] ]
, "shell_index" : [ "index", [ "basis.prim_num" ] ]
, "exponent" : [ "float", [ "basis.prim_num" ] ]
Expand Down Expand Up @@ -352,7 +352,7 @@ nucleus_index =
1, 1, 1, 1, 1, 1 ]

# 3 shells in S (l=0), 2 in P (l=1), 1 in D (l=2)
ang_mom =
shell_ang_mom =
[ 0, 0, 0, 1, 1, 2,
0, 0, 0, 1, 1, 2 ]

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