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Merge pull request #434 from akohlmey/imgflags-in-library

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improved image flag handling in library interface
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sjplimp
2017-03-28 12:50:13 -06:00
committed by GitHub
parent 7e9f05b617 fc51c38abb
commit 80e5111dca
3 changed files with 39 additions and 4 deletions
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doc/src/Section_howto.txt
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@ -1989,6 +1989,11 @@ Both methods are thus a means to extract or assign (overwrite) any
peratom quantities within LAMMPS. See the extract() method in the
src/atom.cpp file for a list of valid per-atom properties. New names
could easily be added if the property you want is not listed.
A special treatment is applied for accessing image flags via the
"image" property. Image flags are stored in a packed format with all
three image flags stored in a single integer. When signaling to access
the image flags as 3 individual values per atom instead of 1, the data
is transparently packed or unpacked by the library interface.
The lammps_create_atoms() function takes a list of N atoms as input
with atom types and coords (required), an optionally atom IDs and