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4e8909d9cd
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Evgeny Posenitskiy 4e8909d9cd
Add extern C pre-processing macro for C++
2023-01-11 19:03:57 +01:00
..
templates_front Add extern C pre-processing macro for C++ 2023-01-11 19:03:57 +01:00
templates_hdf5 Remove excited state switch for I/O and add state_id 2022-09-28 10:22:56 +02:00
templates_text Fix Python tests and static checker warnings 2022-09-28 12:48:18 +02:00
.gitignore gitignore editor swap/backup files, suggested build directory, build byproducts 2022-01-18 14:14:27 +00:00
CMakeLists.txt [CMake] add minor support for pthreads and stdint 2022-01-20 17:32:01 +01:00
numpy.i downgrade numpy.i SWIG interface to numpy 1.17.3 2021-09-30 17:22:50 +02:00
pytrexio.i Implement trexio_to_bitfield_list functions in all APIs 2022-07-12 17:21:08 +02:00
README.org [pre-release] upgrade versions and produce wheels for CPython 3.10 2021-12-27 16:26:17 +01:00

README.org

TREXIO source code documentation

The TREXIO library defines a standard format for storing wave functions, together with an C-compatible API such that it can be easily used in any programming language.

The source code of the library is available at https://github.com/trex-coe/trexio and bug reports should be submitted at https://github.com/trex-coe/trexio/issues.

https://trex-coe.eu/sites/default/files/inline-images/euflag.jpg TREX: Targeting Real Chemical Accuracy at the Exascale project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.