No actual downloads from this site yet.  The intent is for this software to be free for academic use.  If you are such a user, for now, please just send me an email and I will be happy to send you a tar file with the source code.

Components of the TDC method software package

coupling5  This is the main program, version 5.  It requires three input files: cubeA and cubeB, the TDC files from the donor and acceptor molecules, and coupling.in, a two line file that gives 'true' values for the transition dipole magnitudes of the donor and acceptor.  The coupling strength and other information are output in the file coupling.out.  (An existing coupling.out file is overwritten.)  This only supports single processor execution for now, but a parallel version is on the way soon.

transform  A TDC reorientation program.  It reads in a TDC file (named cube.transform.start) and requests the coordinates for three characteristic atoms from the molecule's structure.  The reoriented TDC file is written to cube.transform.done.

dip_dip  For quick analysis of a TDC pair.  It has the same input and output files as the coupling program, but only calculates the dipole-dipole coupling term so it runs much faster than the full coupling program.

cubedip  For characterizing TDC files.  It reads a file name cubeA and outputs a file called cubedip.out which contains the transition dipole information from the TDC.

qc_to_gau  For converting a QChem TDC file to the gaussian TDC format.  Not available yet.