Different symmetry group for TCE and geometry optimisation

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Gets Around

12:45:56 AM PST - Wed, Dec 28th 2016
Hi, NWCHEM developers can I set different symmetry group for TCE calculations which restrict to Abelian only and for geometry optimization which can be Th, Oh group or whatever with Abelian subgroup? Tetrahedrane, Cubane, Dodecahedrane as example. with respect, Vladimir.