mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-12-23 04:43:57 +01:00
36 lines
1.0 KiB
Plaintext
36 lines
1.0 KiB
Plaintext
CHANGES
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=======
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2.0
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---
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- Fixed data structure of the <ecp> group in trex.org in order to simplify the
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access to both local and non-local quantities
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- Adapted data structure of the <basis> group to be consistent with the <ecp>
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1.1
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---
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- Fixed bug when trying to lock read-only file in text back-end
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- Raise autoconf error when not in developer mode
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- Add version attributes to the Fortran module
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- Remove PACKAGE_VERSION definition from trexio.h
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1.0
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---
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- Python API developed with the SWIG code generator and deployed on PyPI and Binder
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- Memory-safe functions introduced for write/read operations with arrays
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- Better handling of single numerical (int/float) attributes + new dim type (strictly positive integers)
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- Added functionality to return the error code from the trexio_open function
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- Pinned minimal numpy version for the Python API build and distribution [to be tested]
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- Parallel unit tests in C
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0.3
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---
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- Using libtool/automake
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- Rewrote generator
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