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Pull requests: oerc0122/castep_outputs

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Pull requests list

Change md/geom parsing to frame function for easier use. bug Something isn't working enhancement New feature or request
#176 opened Nov 28, 2024 by oerc0122 Loading…
@oerc0122
13
Add delocalised coordinates parsers enhancement New feature or request
#153 opened Jul 31, 2024 by oerc0122 Loading…
1
@oerc0122
Refactor *_fmt file parsers documentation Improvements or additions to documentation
#148 opened Jul 28, 2024 by oerc0122 Loading…
@oerc0122
Refactor efield parser documentation Improvements or additions to documentation
#147 opened Jul 28, 2024 by oerc0122 Loading…
@oerc0122
Refactor magres parsing enhancement New feature or request
#142 opened Jul 28, 2024 by oerc0122 Loading…
1
@oerc0122
5
Update .phonon parser to return all information from file enhancement New feature or request
#135 opened Jul 25, 2024 by oerc0122 Loading…
@oerc0122
1
Add deltascf parsing enhancement New feature or request
#130 opened Feb 24, 2024 by oerc0122 Loading…
1
@oerc0122
Add parsing for CoM removal enhancement New feature or request
#129 opened Feb 21, 2024 by oerc0122 Loading…
1
@oerc0122
Improve reporting of symmetry and constraints enhancement New feature or request
#128 opened Feb 21, 2024 by oerc0122 Loading…
@oerc0122
Make GH actions only run on changes to sources
#121 opened Feb 8, 2024 by oerc0122 • Draft
ProTip! Updated in the last three days: updated:>2024-12-09.