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Commit ec14bb7d authored by Niccolo.Ricardi's avatar Niccolo.Ricardi
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no = in fde section

parent 3953f543
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......@@ -93,7 +93,7 @@ rpa = $rpa
state_analysis = true""")
Tfde = Template("""$$fde
T_Func = $t_func
T_Func $t_func
$xc_func
expansion $expansion
$method_a
......@@ -182,10 +182,10 @@ molecule_defaults = {"charge" : 0,
}
fde_defaults = {"expansion" : "ME",
"method_a" : "rhoB_method = HF",
"method_b" : "rhoA_method = HF",
"method_a" : "rhoB_method HF",
"method_b" : "rhoA_method HF",
"t_func" : "TF",
"xc_func" : "x_func = Slater\nc_func = VWN5",
"xc_func" : "x_func Slater\nc_func VWN5",
"debug" : "true",
"print_level" : 3,
"fde_extras" : "",
......
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