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Update the changelog
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lorenzo-rovigatti committed Jul 7, 2022
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15 changes: 14 additions & 1 deletion CHANGELOG
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v. 3.3
- Add variables to the input file
- Add support for mathematical expressions to the input file
- Add tests for the new input features
- Greatly improve the performance of the configuration parser. The speed increase is very noticeable when using DNAnalysis on large trajectories.
- Add a Python-powered metadynamics interface (examples/METADYNAMICS)
- Add Python bindings to the external forces
- Add support for observable and external force files written in JSON
- Add tests for oxpy
- Complete rewrite of the docs files. The documentation is now much more complete and handled by sphinx
- Remove the old (and outdated) UTILS folder
- Add oxDNA_analysis_tools to the repo (in the analysis folder)

v. 3.2.1 [ee2553c]
- Fix a bug by avoiding free'ing uninitialised CUDA arrays
- Substitute a call to the deprecated cudaThreadSetCacheConfig function
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- Make it possible to print non-averaged density profiles
- Add a method to print a configuration at will from Python (OxpyManager::print_configuration)
- Add a method to get the system's total energy (OxpyManager::system_energy)
- Bugfixing:
- Bugfixing:
- Fix a bug whereby the Hilbert sorting done on GPU would lead to wrong results due to a wrong updating of the particle data structures
- Fix a bug a CPU simulation run with a CUDA-enabled oxDNA would take up a GPU

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