diff --git a/trex.json b/trex.json index c7b8e28..d0652f0 100644 --- a/trex.json +++ b/trex.json @@ -9,8 +9,8 @@ }, "electron": { - "up_num" : [ "int", [] ], - "dn_num" : [ "int", [] ] + "up_num" : [ "int", [] ] + , "dn_num" : [ "int", [] ] }, "nucleus": { @@ -25,15 +25,15 @@ "lmax_plus_1" : [ "int" , [ "nucleus.num" ] ] , "z_core" : [ "int" , [ "nucleus.num" ] ] , "local_n" : [ "int" , [ "nucleus.num" ] ] - , "num_local_n_max" : [ "int" , [ ] ] - , "local_exponent" : [ "float", [ "nucleus.num", "ecp.num_local_n_max" ] ] - , "local_coef" : [ "float", [ "nucleus.num", "ecp.num_local_n_max" ] ] - , "local_power" : [ "int" , [ "nucleus.num", "ecp.num_local_n_max" ] ] + , "local_num_n_max" : [ "int" , [ ] ] + , "local_exponent" : [ "float", [ "nucleus.num", "ecp.local_num_n_max" ] ] + , "local_coef" : [ "float", [ "nucleus.num", "ecp.local_num_n_max" ] ] + , "local_power" : [ "int" , [ "nucleus.num", "ecp.local_num_n_max" ] ] , "non_local_n" : [ "int" , [ "nucleus.num" ] ] - , "num_non_local_n_max": [ "int" , [ ] ] - , "non_local_exponent" : [ "float", [ "nucleus.num", "ecp.num_non_local_n_max" ] ] - , "non_local_coef" : [ "float", [ "nucleus.num", "ecp.num_non_local_n_max" ] ] - , "non_local_power" : [ "int" , [ "nucleus.num", "ecp.num_non_local_n_max" ] ] + , "non_local_num_n_max": [ "int" , [ ] ] + , "non_local_exponent" : [ "float", [ "nucleus.num", "ecp.non_local_num_n_max" ] ] + , "non_local_coef" : [ "float", [ "nucleus.num", "ecp.non_local_num_n_max" ] ] + , "non_local_power" : [ "int" , [ "nucleus.num", "ecp.non_local_num_n_max" ] ] }, "basis" : {