At the moment, any momentum vectors provided in geometry files (XYZ, TrajDump, Geometry.dat) are ignored. These could be optionally read in and stored as a 3 x natm array, and options to output could also be provided.
Trying to read/write momenta with a COLUMBUS or Z-matrix format would return an error (unless some default format is set).
ryjmacdonell
commented
6 years ago
At the moment, any momentum vectors provided in geometry files (XYZ, TrajDump, Geometry.dat) are ignored. These could be optionally read in and stored as a 3 x natm array, and options to output could also be provided.
Trying to read/write momenta with a COLUMBUS or Z-matrix format would return an error (unless some default format is set).