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nwchemgit / nwchem

NWChem: Open Source High-Performance Computational Chemistry
http://nwchemgit.github.io
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Nwc sym #1041

Closed lachlanbelcher closed 2 weeks ago

lachlanbelcher commented 2 weeks ago

Corrected indexing problem with dipole integrals. Began process of adding abelian symmetry for Columbus -- calculates the symmetry orbitals but does not yet implement them. Continue using C1.

edoapra commented 2 weeks ago

@lachlanbelcher thanks for the contribution

edoapra commented 2 weeks ago

I will rebase this branch before merging