Related Issues (20)
- Exponentially-slow regex HOT 2
- Problem when encountering comments HOT 1
- dictionary problem with k_points
- Slight inconsistencies in physical constants HOT 9
- Wrong alat used if ibrav != 0 HOT 1
- Missing 'valid_ibrav' values in get_cell_from_parameters HOT 4
- Drop py2 support? HOT 10
- ibrav -13 is incorrect HOT 3
- Clearly define public vs. private interface HOT 8
- Structure of Qe/Pw/CpInputFile HOT 5
- Add (minimal) documentation build
- Check and update docstrings
- Add README as long_description in setup.py
- When set qetools as the parser for qeinputgenerator, the generated input file for pwscf always use this setting: calculation = 'scf'. HOT 5
- Update or pin pytest-cases
- Parsing PW input file HOT 4
- Empty line after ATOMIC_SPECIES makes the parser fail HOT 1
- Move CI from Travis to GHA
- Drop Python 3.5 compatibility, add Python 3.9 to test matrix
- Constructing cell from parameters
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