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Evgeny Posenitskiy 29d927675e
Major refactoring of the generator script (#47) 
* minor cleaning

* create functions for dictionary parsers in the external file

* remove files_exclude since post-processing does the job

* no need to have group_group_dset when propagatin dsets

* oneliner for paths to templates

* add dset_per_group dict

* add function to iteratively populate string based on triggers list

* added recursive replacer for numbers

* add recursive replaces for datasets

* add function for text groups  [iterative+recursive upd]

* do not define triggers in the master script

* transition to helper dictionaries

* cleaning

* comment main code blocks

* rearrange parameters

* add documentation strings to the functions

* minor cleaning and changes

* adapt build_trexio script

* add consisteny check for dimensioning variables
2021-05-26 19:11:46 +02:00
..
templates_front Major refactoring of the generator script (#47) 2021-05-26 19:11:46 +02:00
templates_hdf5 Major refactoring of the generator script (#47) 2021-05-26 19:11:46 +02:00
templates_text error handling for trexio_text_deinit function 2021-05-19 15:03:15 +02:00
.gitignore Fixed configure and install 2021-05-05 11:37:48 +02:00
Makefile.in Fixed append problem 2021-05-06 19:40:27 +02:00
README.org org-mode to html conversion for the documentation website (#41) 2021-04-09 16:45:44 +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.