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25 Open 54 Closed
25 Open 54 Closed
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Issues list

Change castep_outputs abbreviation in README
#179 opened Nov 29, 2024 by oerc0122
test_dumper passes with ruamel.yaml but not pyyaml bug Something isn't working
#178 opened Nov 29, 2024 by ajjackson
Look into implicit doc-types documentation Improvements or additions to documentation
#174 opened Oct 9, 2024 by oerc0122
Pymatgen compatibility tools Relating to integrating with 3rd party codes
#168 opened Sep 9, 2024 by oerc0122
Add parser for polarisation
#157 opened Aug 14, 2024 by oerc0122
Add Parser for Elastic constants/Piezoelectric tensors
#156 opened Aug 12, 2024 by oerc0122
Improve test coverage for Block explicitly.
#155 opened Aug 5, 2024 by oerc0122
Refactor parse_standard_header
#150 opened Jul 30, 2024 by oerc0122
No parser for .epme
#141 opened Jul 27, 2024 by oerc0122
No parser for _current.dat
#140 opened Jul 27, 2024 by oerc0122
Rework magres parser
#139 opened Jul 26, 2024 by oerc0122
1
Add parsing for castep utilities enhancement New feature or request tools Relating to integrating with 3rd party codes
#136 opened Jul 26, 2024 by oerc0122
Compile regexp in normalize_key
#131 opened Mar 26, 2024 by oerc0122
Add more code recipes tools Relating to integrating with 3rd party codes
#117 opened Oct 31, 2023 by oerc0122
Parse elastic SCF enhancement New feature or request
#112 opened Oct 20, 2023 by oerc0122
1
Parse delocalised geomopt enhancement New feature or request
#111 opened Oct 20, 2023 by oerc0122
1
Parse PIMD data enhancement New feature or request
#110 opened Oct 20, 2023 by oerc0122
Parse Delta SCF data enhancement New feature or request
#109 opened Oct 20, 2023 by oerc0122
1
Parse verbose CoM removal enhancement New feature or request
#108 opened Oct 20, 2023 by oerc0122
1
Parse TSS Table enhancement New feature or request
#107 opened Oct 20, 2023 by oerc0122
Check against various continuation runs
#83 opened Aug 19, 2023 by oerc0122
SCF incorrectly reports energy_gain null vs fermi_energy bug Something isn't working
#82 opened Aug 19, 2023 by oerc0122
Add automated PyPI deployment
#48 opened Aug 9, 2023 by oerc0122
Add sphinx documentation
#10 opened Jul 21, 2023 by oerc0122
Verify applicability over Verbosities
#1 opened Jul 14, 2023 by oerc0122
2 tasks
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