The manual to FireFly program clearly explain why and how to use spherical or cartesian functions when working with different basis sets. Here we publish this part of manual. The fresh and whole manual you can find at the FireFly website, it is free for download and is very useful for both Firefly users and […]
Using spherical functions (from A.Granovsky manual)
Published in Октябрь 9th, 2014
Posted by comcon1 in Без рубрики
1 Comment
Метки
Последние записи
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- Constructing discrete Laplacian via sparse matrix
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- Visualize partial charges in PyMol
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