Exemplos de TightBindingSuite SpaceGroup.GenerateSymmetries em C# (CSharp)

Exemplo n.º 1

        public static SpaceGroup IdentifyGroup(SymmetryList syms)
        {
            for (int i = 230; i >= 1; i--)
            {
                SpaceGroup test  = mGroups[i];
                bool       found = true;

                foreach (var sym in test.PrimitiveSymmetries)
                {
                    if (syms.Contains(sym) == false)
                    {
                        found = false;
                    }
                }

                if (found)
                {
                    test.GenerateSymmetries();
                    return(test);
                }
            }

            // return lowest symmetry group.
            mGroups[1].GenerateSymmetries();
            return(mGroups[1]);
        }