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Some missing CHANGELOG details
Update CHANGELOG for recent changes.
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CHANGELOG.rst

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construction, MPI-parallel matrix-multiplication based energy gradient
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evaluation, restart of matrix-multiplication based hybrid-DFTB calculations)
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- Hybrid functionals for (molecular) non-collinear spin groundstate
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- Electronic constraints on arbitrary regions, targeting the electronic ground
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state by determining a self-consistent constraint potential (restricted to
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Mulliken populations at the moment)
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- Explicit keyword for gaussian electron temperature smearing (MP order 0)
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- Addition of developer documentation for code internals in doc/dftb+/code/
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- Optional GPU acceleration for the modes code via the MAGMA library
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and support for the divide and conquer and relatively robust LAPACK
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solvers
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Changed
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- Components of xtb energies are now resolved
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- Use least squares solution instead of inversion for XLBOMD force
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corrections
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- Removes SCC keyword if using hybrid functionals (as these should always
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be SCC)
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Fixed
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temperature. Default for Methfestle-Paxton smearing is now set to 1
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(matching the results from the old default value).
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- Remove duplicate printing of internal energy in results.tag
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24.1 (2024-02-12)
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