pyqmmm.qm.traj_merger

Combine frames into a single file.

Functions

combine_xyz_files()	Combines two xyz files into one.
get_xyz_filenames()	Search the current directory for all xyz files and remove non-trajectories.
multiframe_xyz_to_list(xyz_filename)	Turns an xyz trajectory file into a list of lists where each element is a frame.
request_frames(xyz_filename)	Get the request frames for each file from the user.
xyz_merger()	Reaction path calculations often need to be restarted from a later point.