From 0ea45d89d9fe39d61302e995d9b9b2c9773a2ad2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 30 Jul 2024 05:45:24 -0400 Subject: [PATCH] clarify that all hybrid styles do not write Coeff sections --- doc/src/write_data.rst | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/doc/src/write_data.rst b/doc/src/write_data.rst index e1e5b04953..937ab5ba02 100644 --- a/doc/src/write_data.rst +++ b/doc/src/write_data.rst @@ -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