Loading doc/src/fix_flow_gauss.txt +18 −0 Original line number Diff line number Diff line Loading @@ -93,6 +93,19 @@ work on the system must have {fix_modify energy yes} set as well. This includes thermostat fixes and any constraints that hold the positions of wall atoms fixed, such as "fix spring/self"_fix_spring_self.html. NOTE: If this fix is used in a simulation with a "r-RESPA"_run_style.html integrator, the applied acceleration must be computed and applied at the same r-RESPA level as the interactions between the flowing fluid and the obstacle. The r-RESPA level at which the acceleration is applied can be changed using the "fix_modify"_fix_modify.html {respa} option discussed below. If the flowing fluid and the obstacle interact through multiple interactions that are computed at different r-RESPA levels, then there must be a separate flow/gauss fix for each level. For example, if the flowing fluid and obstacle interact through pairwise and long-range Coulomb interactions, which are computed at r-RESPA levels 3 and 4, respectively, then there must be two separate flow/gauss fixes, one that specifies {fix_modify respa 3} and one with {fix_modify respa 4}. :line [Restart, fix_modify, output, run start/stop, minimize info:] Loading @@ -109,6 +122,11 @@ fix to subtract the work done from the system's potential energy as part of "thermodynamic output"_thermo_style.html. The "fix_modify"_fix_modify.html {respa} option is supported by this fix. This allows the user to set at which level of the "r-RESPA"_run_style.html integrator the fix computes and adds the external acceleration. Default is the outermost level. This fix computes a global scalar and a global 3-vector of forces, which can be accessed by various "output commands"_Section_howto.html#howto_15. The scalar is the negative of the Loading Loading
doc/src/fix_flow_gauss.txt +18 −0 Original line number Diff line number Diff line Loading @@ -93,6 +93,19 @@ work on the system must have {fix_modify energy yes} set as well. This includes thermostat fixes and any constraints that hold the positions of wall atoms fixed, such as "fix spring/self"_fix_spring_self.html. NOTE: If this fix is used in a simulation with a "r-RESPA"_run_style.html integrator, the applied acceleration must be computed and applied at the same r-RESPA level as the interactions between the flowing fluid and the obstacle. The r-RESPA level at which the acceleration is applied can be changed using the "fix_modify"_fix_modify.html {respa} option discussed below. If the flowing fluid and the obstacle interact through multiple interactions that are computed at different r-RESPA levels, then there must be a separate flow/gauss fix for each level. For example, if the flowing fluid and obstacle interact through pairwise and long-range Coulomb interactions, which are computed at r-RESPA levels 3 and 4, respectively, then there must be two separate flow/gauss fixes, one that specifies {fix_modify respa 3} and one with {fix_modify respa 4}. :line [Restart, fix_modify, output, run start/stop, minimize info:] Loading @@ -109,6 +122,11 @@ fix to subtract the work done from the system's potential energy as part of "thermodynamic output"_thermo_style.html. The "fix_modify"_fix_modify.html {respa} option is supported by this fix. This allows the user to set at which level of the "r-RESPA"_run_style.html integrator the fix computes and adds the external acceleration. Default is the outermost level. This fix computes a global scalar and a global 3-vector of forces, which can be accessed by various "output commands"_Section_howto.html#howto_15. The scalar is the negative of the Loading
