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NCImilano, a Fortran90 code for applying the reduced density gradient (RDG) descriptor to a real-space study of noncovalent interactions, is presented. This code has been specifically designed for the X-ray charge density community, as it can deal with both gas-phase and solid-state electron densities as evaluated by popular multipolar (XD2006) and Gaussian-based quantum mechanical (Gaussian03/09, CRYSTAL) computational platforms. Moreover, it implements for the first time the possibility of plotting energy densities over RDG isosurfaces.

Supporting information

txt

Text file https://doi.org/10.1107/S0021889813020098/nb5057sup2.txt
ASCII template to build the input file

exe

Executable (exe) file https://doi.org/10.1107/S0021889813020098/nb5057sup5.exe
Bug-fixed NCImilano code. For Windows 32 bit

exe

Executable (exe) file https://doi.org/10.1107/S0021889813020098/nb5057sup6.exe
Bug-fixed NCImilano code. For Windows 64 bit

exe

Executable (exe) file https://doi.org/10.1107/S0021889813020098/nb5057sup3.exe
Bug-fixed NCImilano code. For linux 32 bit

exe

Executable (exe) file https://doi.org/10.1107/S0021889813020098/nb5057sup4.exe
Bug-fixed NCImilano code. For linux 64 bit

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S0021889813020098/nb5057sup1.pdf
User manual of NCImilano


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