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trexio/src
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templates_front Replace error stop with stop for portability 2022-04-29 15:15:53 +02:00
templates_hdf5 Fix backwards incompatibility of the HDF5 back end 2022-04-15 19:09:57 +02:00
templates_text Add I/O for coefficient_size 2022-04-15 15:20:47 +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 Teach SWIG to process bitfield_t pointers 2022-04-22 13:39:28 +02:00
README.org [pre-release] upgrade versions and produce wheels for CPython 3.10 2021-12-27 16:26:17 +01:00

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 Unions 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.