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q-posev d527561440 add test of basic I/O for Python
2021-07-19 17:59:26 +02:00
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templates_front Merge branch 'master' into unit-testing 2021-06-22 14:46:39 +02:00
templates_hdf5 Merge branch 'master' into unit-testing 2021-06-22 14:46:39 +02:00
templates_text pass max_str_len parameter also to read group_str 2021-06-14 14:36:19 +02:00
.gitignore add top-level read/write functions for string arrays [fortran] 2021-06-15 10:20:01 +02:00
pytrexio.i [WIP] Python interface generated by SWIG 2021-07-19 17:58:50 +02:00
README.org Documentation in dist 2021-06-18 12:04:03 +02:00
test.py add test of basic I/O for Python 2021-07-19 17:59:26 +02:00

README.org

TREXIO source code documentation

The ultimate goal of the TREXIO library is to provide a high-performance implementation of basic I/O functionality for users within and beyond the TREX-CoE.

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.