From b5473d00a261d19a5c345c985e73a74abee41f30 Mon Sep 17 00:00:00 2001 From: ssun30 Date: Thu, 7 Mar 2024 17:29:42 -0500 Subject: [PATCH] Added boron into element dictionary --- src/Parse.jl | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/Parse.jl b/src/Parse.jl index d6313ed4..3698081f 100644 --- a/src/Parse.jl +++ b/src/Parse.jl @@ -39,7 +39,7 @@ end const unitsdict = Dict() const elementdict = Dict([1=>"H",3=>"Li",6=>"C",8=>"O",7=>"N",17=>"Cl",16=>"S",18=>"Ar",10=>"Ne",2=>"He", - 15=>"P",9=>"F",35=>"Br",53=>"I",289=>"Fl",0=>"X"]) + 15=>"P",9=>"F",35=>"Br",53=>"I",289=>"Fl",0=>"X",5=>"B"]) const allowedfcnlist = vcat(names(Calc),names(Spc),names(Rxn),names(Solv)) @@ -53,6 +53,7 @@ const mcgowanvolumes = Dict(["H"=> upreferred(8.71u"mL/mol").val, "Ne"=> upreferred(8.51u"mL/mol").val,"Si"=> upreferred(26.83u"mL/mol").val, "P"=> upreferred(24.87u"mL/mol").val, "S"=> upreferred(22.91u"mL/mol").val, "Cl"=> upreferred(20.95u"mL/mol").val, "Ar"=> upreferred(18.99u"mL/mol").val,"Br"=> upreferred(26.21u"mL/mol").val, + "B"=> upreferred(18.31u"mL/mol").val ]) function parseentry(q,units=nothing)