mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-12-22 20:35:44 +01:00
36 lines
1.0 KiB
Plaintext
36 lines
1.0 KiB
Plaintext
CHANGES
|
|
=======
|
|
|
|
2.0
|
|
---
|
|
|
|
- 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>
|
|
|
|
1.1
|
|
---
|
|
|
|
- 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
|
|
---
|
|
|
|
- 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
|
|
|
|
|
|
0.3
|
|
---
|
|
|
|
- Using libtool/automake
|
|
- Rewrote generator
|
|
|