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Anthony Scemama e3d1026a41 iso_c_binding
2022-01-19 19:16:03 +01:00
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templates_front iso_c_binding 2022-01-19 19:16:03 +01:00
templates_hdf5 implement trexio_inquire function in front and back ends 2022-01-19 14:06:10 +01:00
templates_text implement trexio_inquire function in front and back ends 2022-01-19 14:06:10 +01:00
.gitignore update gitignore 2021-08-11 16:01:04 +03:00
CMakeLists.txt Top-level CMakeLists with subdirectories 2021-11-17 14:00:35 +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.