Hi,
i’d like to rotate the BH4 molecule in lattice in any degree (structure is shown in the following), and during the rotation, the B atom is fixed, is there a way to do this in pymatgen?
Thanks
Hi,
i’d like to rotate the BH4 molecule in lattice in any degree (structure is shown in the following), and during the rotation, the B atom is fixed, is there a way to do this in pymatgen?
Thanks