diff --git a/trex.org b/trex.org index e07267b..8336c15 100644 --- a/trex.org +++ b/trex.org @@ -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" ] ] @@ -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 ]