in QSTEM::~QSTEM(): muls.trans is now being freed upon deallocation...

jacobjma / PyQSTEM

A Python interface to the electron microscopy simulation program QSTEM

GNU General Public License v3.0

60 stars 30 forks source link

in QSTEM::~QSTEM(): muls.trans is now being freed upon deallocation... #2

Closed fragwuerdig closed 7 years ago

fragwuerdig commented 7 years ago

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 ...