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Molpro interface
Difference between revisions from 2010/06/17 14:42 and 2010/06/16 16:18.Interface to [Molpro 2009|http://www.molpro.net] (Comercial). !Versions supported The interface was developed for Molpro 2009, compatibility with earlier version is not known. !Methods specified by method keyword: * hf * dft * mp2 * mp2half * mp3 * ccsd * ccsdt - means CCSD(T) !Keywords * mem * charge * method * basisset * basisset_elements * molpro_basis_file * density_fitting * auxiliary_basis * functional * energy_decomposition * scf_limit * solvent_model * solvent_epsilon * use_old_results