XYZ_data
- This variable is a nx3 array holding the xyz coordinates in Ångström corresponding to the variable [[atom.x]' [atom.y]' [atom.z]']. The motivation for this variable is simply to have all coordinates in the same variable. The coordinates can be 'put back' to the atom struct using the function xyz2atom
Contents
Version
2.11
Example
- XYZ_data = [1 2 3; 4 5 6 ; 7 8 9]; % X data is then 1 4 7... and likewise for Y and Z
XYZ_data = [1 2 3; 4 5 6 ; 7 8 9]