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q-posev 246847b8d5 Merge branch 'master' into add-auto-backend
2022-01-25 16:24:34 +01:00
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templates_front Merge branch 'master' into add-auto-backend 2022-01-25 16:24:34 +01:00
templates_hdf5 add overwriting functionality for unsafe mode [HDF5] 2022-01-24 16:15:31 +01:00
templates_text add overwriting functionality for unsafe mode [TEXT] 2022-01-24 16:13:27 +01:00
.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 [WIP] working read/write of sparse data in the low-level (SWIG) Python API 2021-12-24 11:49:54 +01:00
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.