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Pull requests: oerc0122/castep_outputs
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Add deltascf parsing
enhancement
New feature or request
#130
opened Feb 24, 2024 by
oerc0122
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Add parsing for CoM removal
enhancement
New feature or request
#129
opened Feb 21, 2024 by
oerc0122
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Improve reporting of symmetry and constraints
enhancement
New feature or request
#128
opened Feb 21, 2024 by
oerc0122
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Fix issue with MD missing step 0 and capturing memory estimate
bug
Something isn't working
#127
opened Feb 21, 2024 by
oerc0122
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Cleanup SCF debug info
enhancement
New feature or request
#123
opened Feb 16, 2024 by
oerc0122
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Major Code refactor
enhancement
New feature or request
#116
opened Oct 24, 2023 by
oerc0122
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