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clarify that all hybrid styles do not write Coeff sections

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Axel Kohlmeyer
2024-07-30 05:45:24 -04:00
parent 620af2599b
commit 0ea45d89d9
1 changed files with 6 additions and 4 deletions
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10
doc/src/write_data.rst
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@ -51,10 +51,12 @@ value.
The write_data command may not always write all coefficient settings
to the corresponding Coeff sections of the data file. This can have
one of multiple reasons. 1) A few styles may be missing the code that
would write those sections (if you come across one, please notify
the LAMMPS developers). 2) Some pair styles require a single pair_coeff
statement and those are not compatible with data files. 3) The
one of multiple reasons. 1) The style may be a hybrid style. In that
case *no* coeff information is written. 2) A few styles may be
missing the code that would write those sections (This is rare these
days, but if you come across one, please notify the LAMMPS
developers). 3) Some pair styles require a single pair_coeff
statement and those are not compatible with data files. 4) The
default for write_data is to write a PairCoeff section, which has
only entries for atom types i == j. The remaining coefficients would
be inferred through the currently selected mixing rule. If there has