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pjknowles
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Sep 19, 2025
- Refactoring molpro_input to be more private, and to expose json schema
- More refactoring. class nearly works.
- Passing tests now
- reduce references to schema
- Fixing up ProjectWindow to new molpro_input
- Fix InputSpecification.method
- Remove some debugging
- Fixed up keyval input
- Tidy
- Use molpro_input from pymolpro
- Adopt pymolpro/pysjef changes that avoid registry project being recorded
- Fix packaging errors, and update molpro-teach
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