Python 3 conversion - Githubissues

vossjo / ase-espresso

ase interface for Quantum Espresso

GNU General Public License v3.0

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Python 3 conversion #27

Open jboes opened 6 years ago

jboes commented 6 years ago

Significant changes for Python3 compatibility:

All popen(2) converted to subprocess commands
All os.systems converted to subprocess commands
Extensive unicode format handling
Mode and opt_algorithm deprecated in favor of calculation and ion_dynamics (QE & ASE convention)
Print statements made to print functions
See comments below for additional changes

aggressive autopep8 and yapf formatting changes for readability.

lmmentel commented 6 years ago

FYI @jboes https://github.com/lmmentel/ase-espresso