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A program for computing vibrational corrections for gas-phase electron diffraction studies using data of molecular dynamics simulations
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MDVibCor is a program for computing vibrational corrections for gas-phase electron diffraction studies using data of molecular dynamics simulations. Compiling MDVibCor The compilation of this program requires a C++ compiler (with STL) and GNU Scientific Library (GSL). It was tested using G++ from GCC 4.7 suite under Linux and Cygwin. Compilation in Microsoft Visual Studio 2012 is also possible, but building GSL under it is a separate story not covered here. Compiling under Linux or Cygwin Simply run 'make' in the directory containing the source code. Compiling in Microsoft Visual Studio Create a new C++ console application project, add source and header files. Make GSL headers and libraries available for the project and build the program. Wrong path to the GSL headers will prevent 'simulation.cpp' source file from compiling and incorrect path lo the GSL library files will cause linkage errors.