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some more fixes and rewording

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This commit is contained in:
Axel Kohlmeyer
2024-09-30 15:42:34 -04:00
parent a31f083bab
commit b25e370e63
1 changed files with 11 additions and 10 deletions
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21
doc/src/read_dump.rst
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@ -246,23 +246,24 @@ created with default settings by :doc:`dump style <dump>` *xyz*), that
number will be used as the atom type. If the atom label is a string, number will be used as the atom type. If the atom label is a string,
then a type map must be created using the :doc:`labelmap command then a type map must be created using the :doc:`labelmap command
<labelmap>`. This map needs to associate each (numeric) atom type with <labelmap>`. This map needs to associate each (numeric) atom type with
one string label and that numeric type is stored. a string label. The numeric atom type is stored internally.
The xyz format dump file does not store atom IDs, so these are assigned The xyz format dump file does not store atom IDs, so these are assigned
consecutively to the atoms as they appear in the dump file, starting consecutively to the atoms as they appear in the dump file, starting
from 1. Thus you should ensure that order of atoms is consistent from from 1. Thus you should ensure that the order of atoms is consistent
snapshot to snapshot in the XYZ dump file. See the :doc:`dump_modify from snapshot to snapshot in the XYZ dump file. See the
sort <dump_modify>` command if the XYZ dump file was written by LAMMPS. :doc:`dump_modify sort <dump_modify>` command if the XYZ dump file was
written by LAMMPS.
For dump files in *molfile* format, the *x*, *y*, *z*, *vx*, *vy*, and For dump files in *molfile* format, the *x*, *y*, *z*, *vx*, *vy*, and
*vz* fields can be specified. However, not all molfile formats store *vz* fields can be specified. However, not all molfile formats store
velocities, or their respective plugins may not support reading of velocities, or their respective plugins may not support reading of
velocities. The molfile dump files do not store atom IDs, so these velocities. The molfile dump files do not store atom IDs, so these are
are assigned consecutively to the atoms as they appear in the dump assigned consecutively to the atoms as they appear in the dump file,
file, starting from 1. Thus you should ensure that order of atoms are starting from 1. Thus you should ensure that the order of atoms are
consistent from snapshot to snapshot in the molfile dump file. consistent from snapshot to snapshot in the molfile dump file. See the
See the :doc:`dump_modify sort <dump_modify>` command if the dump file :doc:`dump_modify sort <dump_modify>` command if the dump file was
was written by LAMMPS. written by LAMMPS.
The *adios* format supports all fields that the *native* format supports The *adios* format supports all fields that the *native* format supports
except for the *q* charge field. except for the *q* charge field.