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q-posev d42dc7f449 optional HDF5 compilation 
via configure script and pre-processor macros
2021-11-01 11:55:34 +01:00
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templates_front optional HDF5 compilation 2021-11-01 11:55:34 +01:00
templates_hdf5 remove blank spaces in front of pointers 2021-09-21 15:54:11 +02:00
templates_text Check return value of mkdtemp 2021-10-14 10:53:15 +02:00
.gitignore update gitignore 2021-08-11 16:01:04 +03:00
numpy.i downgrade numpy.i SWIG interface to numpy 1.17.3 2021-09-30 17:22:50 +02:00
pytrexio.i handle return error of trexio_open in the Python API 2021-09-22 16:40:55 +02:00
README.org Update README 2021-10-13 14:24:54 +02:00

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.