Popular repositories Loading

1. map_DG map_DG Public

   calculate free energy landscape from 2 metrics

   Perl 1

2. FROGhamil FROGhamil Public

   Bash script for taking the Overlap and Fock matrix from a logfile from Gaussian16

   Shell 1

3. ircbyhand ircbyhand Public

   Fortran script for IRC using Freq calculation provide by Gaussian16

   Fortran 1

4. xyz2bas xyz2bas Public

   Fortran code that convert xyz file to bas file for Fireball

   Fortran 1

5. mol2surface mol2surface Public

   Fortran code that convert xyz-file to POSCAR file for VASP calculation

   Fortran 1

6. histogram_plot histogram_plot Public

   histogram_plot, a software for making histogram distribution of phase space along reaction coordinates.

   Perl