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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-11-03 20:54:07 +01:00

Documentation

This commit is contained in:
Anthony Scemama 2021-06-02 11:19:03 +02:00
parent 40cecd1f4e
commit 8aa4721758

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@ -715,7 +715,7 @@ trexio_exit_code transform_str (char** dest, const char** src, uint64_t str_max_
"num" : [ "int" , [ ] ]
, "charge" : [ "float", [ "nucleus.num" ] ]
, "coord" : [ "float", [ "nucleus.num", "3" ] ]
, "label" : [ "char" , [ "nucleus.num", "32" ] ]
, "label" : [ "str" , [ "nucleus.num" ] ]
}
}
#+end_src
@ -1055,8 +1055,8 @@ end interface
This section concerns API calls related to datasets.
| Function name | Description | Precision |
|----------------------------------------+-------------------------------------+-----------|
| Function name | Description | Precision |
|--------------------------------+-------------------------------------+-----------|
| ~trexio_has_$group_dset$~ | Check if a dataset exists in a file | --- |
| ~trexio_read_$group_dset$~ | Read a dataset | Double |
| ~trexio_write_$group_dset$~ | Write a dataset | Double |