| 4:42:58 PM PDT - Thu, Sep 14th 2017 |
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Thank you Edoapra.
The Molden documentation provides the details of the format.
One quick question, are you aware of any code which can readily evaluate charge density from molecular orbital info (atomic coordinates + type of gaussian basis + coefficients + symmetry) at any given point(s)? I've only come across visualization tools that do it internally for plotting purpose. Any suggestion will be of help.
Thanks again,
Bikash
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