Description of work
The ASE converter has been assigning wrong dimensions to the unit cell of the simulation. This is now fixed.
closes #344
Fixes
The unit cell dimensions are saved correctly.
Systems without periodic boundary conditions are not given a unit cell.
Reading performance has been improved.
To test
Apart from the normal unit tests, it should be tested on one ASE trajectory (.traj) like the copper trajectory, and on a trajectory without periodic boundary conditions (probably hexane).
Description of work The ASE converter has been assigning wrong dimensions to the unit cell of the simulation. This is now fixed.
closes #344
Fixes
To test Apart from the normal unit tests, it should be tested on one ASE trajectory (.traj) like the copper trajectory, and on a trajectory without periodic boundary conditions (probably hexane).