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put a few more details on restrictions when parsing types early on.

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Axel Kohlmeyer
2022-10-13 15:15:37 -04:00
parent 6b35251ca2
commit 40d409a8d4
1 changed files with 8 additions and 2 deletions
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10
doc/src/read_data.rst
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@ -71,8 +71,14 @@ Also see the explanation of the :doc:`-restart command-line switch
This command can be used multiple times to add new atoms and their
properties to an existing system by using the *add*, *offset*, and
*shift* keywords. See more details below, which includes the use case
for the *extra* keywords.
*shift* keywords. However, it is important to understand that several
system parameters, like the number of types of different kinds and per
atom settings are **locked in** after the first *read_data* command,
which means that no type ID (including its offset) may have a larger
value when processing additional data files than what is set by the
first data file and the corresponding *read_data* command options. See
more details on this situation below, which includes the use case for
the *extra* keywords.
The *group* keyword adds all the atoms in the data file to the
specified group-ID. The group will be created if it does not already