ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Merge pull request #2704 from rbberger/compress_package

Browse Source 
More refactoring of COMPRESS package
This commit is contained in:
Axel Kohlmeyer
2021-04-12 23:01:35 -04:00
committed by GitHub
parent 9bc353e5bd dba3cce883
commit f07fa3d266
30 changed files with 1327 additions and 317 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
doc/src/dump_modify.rst
View File

@ -308,9 +308,9 @@ performed with dump style *xtc*\ .
----------
The *format* keyword can be used to change the default numeric format
output by the text-based dump styles: *atom*\ , *custom*\ , *cfg*\ , and
*xyz* styles, and their MPIIO variants. Only the *line* or *none*
The *format* keyword can be used to change the default numeric format output
by the text-based dump styles: *atom*\ , *local*\ , *custom*\ , *cfg*\ , and
*xyz* styles, and their MPIIO variants. Only the *line* or *none*
options can be used with the *atom* and *xyz* styles.
All the specified format strings are C-style formats, e.g. as used by
@ -362,7 +362,7 @@ settings, reverting all values to their default format.
compute 1 all property/local batom1 batom2
dump 1 all local 100 tmp.bonds index c_1[1] c_1[2]
dump_modify 1 format "%d %0.0f %0.0f"
dump_modify 1 format line "%d %0.0f %0.0f"
will output the two atom IDs for atoms in each bond as integers. If
the dump_modify command were omitted, they would appear as