Commit d101fe3e authored by Steve Plimpton's avatar Steve Plimpton Committed by GitHub
Browse files

Merge pull request #649 from akohlmey/fix-virial-aidan 

Add support for selected fixes to optionally contribute to the virial
parents 27f99534 99e5dc71

doc/src/Section_packages.txt

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@@ -2191,7 +2191,7 @@ src/USER-MESO/README 
"pair_style edpd"_pair_meso.html

"pair_style mdpd"_pair_meso.html

"pair_style tdpd"_pair_meso.html

"fix mvv/dpd"_fix_mvv.html

"fix mvv/dpd"_fix_mvv_dpd.html

examples/USER/meso

http://lammps.sandia.gov/movies.html#mesodpd :ul

doc/src/fix_addforce.txt

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@@ -139,6 +139,11 @@ forces added by this fix in a consistent manner. I.e. there is a 
decrease in potential energy when atoms move in the direction of the

added force.



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

doc/src/fix_cmap.txt

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@@ -97,6 +97,11 @@ The "fix_modify"_fix_modify.html {energy} option is supported by this 
fix to add the potential "energy" of the CMAP interactions system's

potential energy as part of "thermodynamic output"_thermo_style.html.



The "fix_modify"_fix_modify.html {virial} option is supported by this

fix to add the contribution due to the interaction between atoms to

the system's virial as part of "thermodynamic output"_thermo_style.html.

The default is {virial yes}



This fix computes a global scalar which can be accessed by various

"output commands"_Section_howto.html#howto_15.  The scalar is the

potential energy discussed above.  The scalar value calculated by this

doc/src/fix_efield.txt

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@@ -124,6 +124,11 @@ can include the forces added by this fix in a consistent manner. 
I.e. there is a decrease in potential energy when atoms move in the

direction of the added force due to the electric field.



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 adding its forces. Default is the outermost level.

doc/src/fix_external.txt

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Original line number Diff line number Diff line
@@ -131,6 +131,11 @@ forces added by this fix in a consistent manner. I.e. there is a 
decrease in potential energy when atoms move in the direction of the

added force.



The "fix_modify"_fix_modify.html {virial} option is supported by this

fix to add the contribution due to the interactions computed by the

external program to the system's virial as part of "thermodynamic

output"_thermo_style.html. The default is {virial yes}



This fix computes a global scalar which can be accessed by various

"output commands"_Section_howto.html#howto_15.  The scalar is the

potential energy discussed above.  The scalar stored by this fix

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