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trexio/ChangeLog

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2021-05-28 13:36:39 +02:00
CHANGES
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2021-10-25 11:40:07 +02:00
2.0
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- Fixed data structure of the <ecp> group in trex.org in order to simplify the
access to both local and non-local quantities
- Adapted data structure of the <basis> group to be consistent with the <ecp>
2021-10-14 10:58:37 +02:00
1.1
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- Fixed bug when trying to lock read-only file in text back-end
- Raise autoconf error when not in developer mode
- Add version attributes to the Fortran module
- Remove PACKAGE_VERSION definition from trexio.h
1.0
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- Python API developed with the SWIG code generator and deployed on PyPI and Binder
- Memory-safe functions introduced for write/read operations with arrays
- Better handling of single numerical (int/float) attributes + new dim type (strictly positive integers)
- Added functionality to return the error code from the trexio_open function
- Pinned minimal numpy version for the Python API build and distribution [to be tested]
- Parallel unit tests in C
2021-05-28 13:36:39 +02:00
0.3
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2021-10-14 10:58:37 +02:00
- Using libtool/automake
- Rewrote generator
2021-05-28 13:36:39 +02:00