| 11:45:23 AM PDT - Wed, Oct 19th 2016 |
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Now that ECCE isn't being supported, there isn't another program (to my knowledge) that can fully visualize molecular orbitals from NWChem outputs. Programs like Jmol can parse the NWChem output, but that doesn't include the full MO information because NWChem only provides information about the 10 most important basis functions.
I would suggest changing it from a hard coded 10 basis functions to all bf with coefficients greater than some threshold with a reasonable default but that can be modified by the end user.
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