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fix typos

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q-posev 2021-06-25 13:07:55 +02:00
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commit 09aa95575b
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@ -4,8 +4,8 @@
This page contains information about the general structure of the
TREXIO library. The source code of the library can be automatically
generated based on the contents of the ~trex.json~ file, which is
compiled from different sections (groups) presented below.
generated based on the contents of the ~trex.json~ configuration file,
which itself is compiled from different sections (groups) presented below.
For more information about the automatic generation on the source code
or regarding possible modifications, please contact the TREXIO developers.
@ -13,7 +13,7 @@ or regarding possible modifications, please contact the TREXIO developers.
All quantities are saved in TREXIO file in atomic units.
The dimensions of the arrays in the tables below are given in
column-major order (as in Fortran), and the ordering of the dimensions
is reversed in the produced JSON configuration file as the library is
is reversed in the produced ~trex.json~ configuration file as the library is
written in C.
In Fortran, the arrays are 1-based and in most other languages the
@ -77,7 +77,7 @@ arrays are 0-based. Hence, we introduce the ~index~ type which is an
#+end_src
:end:
* Nucleus (nucleus group)i
* Nucleus (nucleus group)
The nuclei are considered as fixed point charges. Coordinates are
given in Cartesian $(x,y,z)$ format.