esta.general.get_com
¶
com(array, label)
¶
method to find the centre of mass of atomic array
input: atomic array with atomic symbols (some xyz files contain atomic numbers, which is not yet implemented-todo-sk!)
return: an array/vector representing the center of mass
com_slightly_slow(array, label)
¶
method to find the centre of mass of atomic array
input: atomic array with atomic symbols (some xyz files contain atomic numbers, which is not yet implemented-todo-sk!)
return: an array/vector representing the center of mass