3 Commits

Author	SHA1	Message	Date
Jan Eitzinger	3d0f4b97ee	Switch copyright header in source files.	2022-09-05 10:39:42 +02:00
Rafael Ravedutti	ed2929c813	Add percentage of atoms within cutoff radius when using LAMMPS reference version ... Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>	2022-02-25 14:40:33 +01:00
Rafael Ravedutti	aa0f4048d0	Rename default directory to lammps and reorganize gromacs variant steps ... Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>	2022-01-25 21:00:11 +01:00