x, y, z
Set the coordinates of the orbital center.
Example: <orbital ... x="0.0" y="0.0" z="0.0"/> (default)
(defined in GAMGI_CHEM_ORBITAL_X, GAMGI_CHEM_ORBITAL_Y and GAMGI_CHEM_ORBITAL_Z)
Allowed values: real (optional, coupled)
e1, e2, e3
Set the Euler angles controlling the orbital orientation. The first rotation (e1),
around the initial y axis, must be between
0 and
180 degrees. The second rotation
(e2), around the initial z axis, must be between
0 and
360 degrees. The
third rotation (e3), around the final z axis, must be between
0 and
360.
Example: <orbital ... e1="0.0" e2="0.0" e3="0.0"/> (default)
(defined in GAMGI_CHEM_ORBITAL_E1, GAMGI_CHEM_ORBITAL_E2 and GAMGI_CHEM_ORBITAL_E3)
Allowed values: e1: 0.0 - 180.0, e2, e3: 0.0 - 360.0 (optional, coupled)