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Re-add now-deprecated Espresso IO functions 1 of 3 checklist items completed!3201updated
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MAINT: Add deprecation versions to docstrings 2 of 3 checklist items completed!3158
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!2924
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- 4
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!3196
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ENH: Add a public method for closing shell 3 of 3 checklist items completed!3197
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Fix constraints in `write_espresso_in` and `read_espresso_in` 3 of 3 checklist items completed!3147
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- 3
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Fix constraints in `write_castep_cell` and `read_castep_cell` 3 of 3 checklist items completed!3143
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- 8
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phonons.py: BUG in get_band_structure method and MAINT 2 of 3 checklist items completed!3189
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- 3
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ONETEP interface: performance and various bug fixes 2 of 3 checklist items completed!3182
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- 13
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espresso: write and read functions for ph.x 2 of 3 checklist items completed!3183
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- 11
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Ensure SCF convergence for test case 3 of 3 checklist items completed!3184
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- 3
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Minor change on espresso.io to allow Path object 0 of 3 checklist items completed!3181
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- 3
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Minor changes to io/espresso 1 of 2 checklist items completed!3179
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- 7
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updated
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GUI indexing and status bar. 2 of 3 checklist items completed!3167
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- 12
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fix name of the configfile 0 of 3 checklist items completed!3176
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- 3
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- 13
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- 5
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Correct the lammps-data and CIF readers to parse lines with comments 3 of 3 checklist items completed!3168
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- Merged
- 5
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updated