Excview consists in a set of scripts/tools designed to visualize/analyze the electronic excitations from a xTB/sTDA calculation.
Excview is a free software, contaning bash scripts and Fortran programs, being available at https://github.com/colombarifm/excview under the GPLv3+ License. It runs under Linux environment with gfortran/gcc 5.4+ compilers and with vmd, imagemagick, ffmpeg, gnuplot and pdflatex softwares.
-
src: The source code for Excview utilitaries -
files_graphics: Scripts to generate sTDA spectrum and graphic representations -
test: Input files for testing (from UV-Vis xTB/sTDA calculation of phthalocyanin)- UV-Vis or ECD spectrum calculated with xtb4stda/stda programs (spec.dat, renamed to basename.dat);
- exciton file from stda calculation (tda.exc, obtained with the -excprint flag and renamed to basename.exc);
- molecular structure in XYZ format (basename.xyz);
- SAS grid for molecular structure in XYZ format (for esp calculations only; sas_basename.xyz)