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Update ChangeLog
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ChangeLog
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ChangeLog
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CHANGES
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=======
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2.2
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---
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- Added `TREXIO_AUTO` back end for read-only mode (`r`) in PR #80
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- Added unsafe mode (`u`) to `trexio_open`. When enabled, data can be
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overwritten (using conventional `trexio_write`) and groups can be deleted
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(using new set of `trexio_delete_[group]` functions). Also added `unsafe`
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attribute to the `metadata` group to indicate that the file might be
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inconsistent. See PR #79
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- Added `trexio_info` function (prints basic info about the library) in PR #78
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- Added `trexio_inquire` function (checks validity of TREXIO files) in PR #75
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- Fixed ISO_C_BINDING types in the Fortran API (`trexio_f.f90`) in PR #74 and #77
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- Fixed code generation and some missing dependencies in CMake in PR #74
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- Fixed portability issue with sed on MacOS so that `make python-install` works
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- Clean `docs` folder only in the maintainer mode
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2.1
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---
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- Automatic maintainer mode in PR #66
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- Optional compilation without HDF5 in PR #67
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- Support for CMake build-system and GNU Guix package management in PR #69
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- Add sparse datasets (e.g. for RDMs and 2e ERIs) in PR #70
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- Add Python API for sparse datasets in PR #71
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- Automate build and upload of CPython wheels in PR #72
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- Documentation: changed ordering of AOs in spherical basis
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2.0
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---
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