Pull request as discussed per Email (July, 3rd). Note the following changes:
Deallocation in QSTEM::muls.trans happens now in destructor.
In QSTEM::set_atoms() the muls.atoms() member object can be directly target for the malloc() function, instead of creating a intermediate local atoms pointer without deallocating it at the end of the method ...
Pull request as discussed per Email (July, 3rd). Note the following changes:
Deallocation in QSTEM::muls.trans happens now in destructor.
In QSTEM::set_atoms() the muls.atoms() member object can be directly target for the malloc() function, instead of creating a intermediate local atoms pointer without deallocating it at the end of the method ...