Documents

D+

D+ is a 64 bit application. You can download the D+ installer of version 4.1.0.0 (the version of the paper) or version 4.2.1.0 (a newer version that is under development).

Notes

Please note that when using the Symmetric Gaussian Slabs model, the thickness of first Gaussian layer is multiplied by 2 in X+. The resulting electron density profile is incorrect. To obtain the correct profile, the witdth of the first Gaussian should be multiplied by 2. 

Remote D+

 

In the Start Menu, under D+, there is a Remote D+ option. If you do not find this option, go to C:\ProgramData\Microsoft\Windows\Start Menu\Programs\D+, and run Remote D+ from there. 

The main difference between Remote D+ and the local version of D+ is where the computations take place.
In the local version, a local copy of the backend is run, using your computers resources.
In the remote version, computations are carried out on a server running the backend with the communications handled over the internet.

Suggest Parameters

 

D+ has a Suggest Parameters tool under the Settings menu, located at the main window.
The tool gets as an input, q Max (the maximum q value), and the x, y, and z coordinates of the point, P, which is most distant from the origin in the structure, for which reciprocal grids are going to be used. 
If grids are used for the entire structure, P  should be the most distant point in the entire structure. However, when the Hybrid method is used, P should be the most distant point in the part of the structure for which grids are used.