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

add support for fix_modify virial yes to fix smd

Browse Source
This commit is contained in:
Axel Kohlmeyer
2017-09-15 01:21:16 -04:00
parent ccb67d8dc5
commit 99e5dc7104
2 changed files with 34 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

5
doc/src/fix_smd.txt
View File

@ -101,6 +101,11 @@ See the "read_restart"_read_restart.html command for info on how to
re-specify a fix in an input script that reads a restart file, so that
the operation of the fix continues in an uninterrupted fashion.
The "fix_modify"_fix_modify.html {virial} option is supported by this
fix to add the contribution due to the added forces on atoms to the
system's virial as part of "thermodynamic output"_thermo_style.html.
The default is {virial no}
The "fix_modify"_fix_modify.html {respa} option is supported by
this fix. This allows to set at which level of the "r-RESPA"_run_style.html
integrator the fix is adding its forces. Default is the outermost level.