github TREX-CoE/trexio v2.6.1

3 months ago

What's Changed

  • Don't error if HDF5 target is already defined by @Krzmbrzl in #224
  • Link against standard math library as necessary by @Krzmbrzl in #226
  • Fix Valgrind errors introduced by H5Eget_auto2 memory leaks by @Copilot in #223
  • Improve documentation in basis group by @scemama in #208
  • Add Copilot instructions for repository context by @Copilot in #234
  • Add test coverage for writing negative state_energy values by @Copilot in #232
  • Remove H5close() from HDF5 cleanup to fix Python environment crashes by @Copilot in #236

New Contributors

Full Changelog: v2.6.0...v2.6.1

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