It calculates properties as well as scattering length densities (SLD) of compounds given by chemical formula.

• Calculation of Neutron and X-Ray scattering length densities for compounds
• Standalone executable for various platforms (Windows, Linux, Mac)
• Internationalization support (switch language at runtime)
• free as in freedom (GPL)
• Written in C++ and Qt

On github: http://github.com/ibressler/qsldcalc

The full source documentation is available online.

Qt and libcfp is required to build the application. Build libcfp first and make sure, it's located in src/libcfp (either by copy or symbolic link).

CMake is used for building the program on various platforms. Just run cmake to get a list of available generators (which generate build environment specific project files). On a common Linux system it should be like that:

cd <qSLDcalc-directory>
mkdir build
cd build
cmake ..
make

Afterwards, the standalone binary can be found in bin/

For advanced build settings (debug symbols, optimization, warnings, etc ...), adjust CMakeLists.txt to your needs.

In a MSYS shell on a Windows combined with MinGW, you may have to specify a Makefile generator:

cmake .. -G "MSYS Makefiles"

The selects the cmake generator for Makefiles used in a MSYS shell.

This program is released under the GNU General Public License (GPL). For further information see LICENSE.txt

Copyright (c) 2010-2011 Ingo Bressler (qsldcalc at ingobressler.net)

It was started by Ingo Bressler (qsldcalc at ingobressler.net) at the Stranski-Laboratory for Physical and Theoretical Chemistry of the Technische Universität Berlin in 2009.