pwlog2trajectory compatibility with ase-3.14.1 and above

vossjo / ase-espresso

ase interface for Quantum Espresso

GNU General Public License v3.0

65 stars 55 forks source link

Closed mhangaard closed 6 years ago

mhangaard commented 6 years ago

PickleTrajectory is replaced by ase.io.Trajectory The dummy calculator is replaced by ase.calculators.singlepoint.SinglePointDFTCalculator