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Tags: maurergroup/deltascf-aims

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v1.1.5

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Merge pull request #146 from maurergroup/fix_incorrect_geometry_name

- Fixed path not being given to create atoms object 
- Fixed not reading k_grid from previous calculations 
- Removed support for setting stack size on MacOS 
- Fixed incorrect projector file names 
- Fixed HPC flag not being respected by projector

v1.1.4

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dylanbmorgan Dylan Morgan
Version bump

v1.1.3

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dylanbmorgan Dylan Morgan
Fixed start KS state for projector

v1.1.2

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dylanbmorgan Dylan Morgan
Fix docstring typos

v1.1.1

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Merge pull request #142 from maurergroup/1.1_fixes

- Fixed bugs introduced in new logic for 1.1
- Fixed to work with core holes for atoms where multiple KS states have to be constrained per atom (e.g. 2p orbitals)
- Minor type fixes and slight logic improvements 
- Fixed input file creation edge case

v1.1.0

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Merge pull request #141 from maurergroup/dscf_calculation_fixes

Occupation Constraint Improvements

v1.0.3

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Updated version and dependencies

v1.0.1

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Attempted formatting fixes

v0.5.0

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Merge pull request #26 from maurergroup/dev

Latest enhancements and bug fixes

v0.2.0a0

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Bumped version