Search Results for "dvda-author"
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Crygr
Compare and visualize charge densities from various file formats.
...Wave functions in the form of .wfn files are also supported and serve, not only to compute the charge densities, but also laplacian as the sum of second partial derivatives of charge density. Thanks to the cooperation with the author of Jana2006 Vaclav Petricek, the program supports also multipoles obtained by measurements on a diffractometer. With all those file formats available to it, it can compare and visualize the differences between various sources describing the same chemical structure.
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