From 214e8876c01f7f413c8075d10a626c8e0eb61e9b Mon Sep 17 00:00:00 2001
From: sjplimp
+
The thermostatting force is given by
-
+
where \(m_i\) is the mass and \(k(\mathbf r_i)\) maps the particle position to the respective reservoir. The quantity \(F_*\Gamma_*k(\mathbf r_i)**\) corresponds to the input parameter diff --git a/doc/src/fix.txt b/doc/src/fix.txt index 577d2b1f2e..bf9c1d5bec 100644 --- a/doc/src/fix.txt +++ b/doc/src/fix.txt @@ -181,6 +181,7 @@ of "this page"_Section_commands.html#cmd_5. "drag"_fix_drag.html - drag atoms towards a defined coordinate "dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces "efield"_fix_efield.html - impose electric field on system +"ehex"_fix_ehex.html - ehanced heat exchange algorithm "enforce2d"_fix_enforce2d.html - zero out z-dimension velocity and force "evaporate"_fix_evaporate.html - remove atoms from simulation periodically "external"_fix_external.html - callback to an external driver program diff --git a/doc/src/fix_ehex.txt b/doc/src/fix_ehex.txt index a197efeb31..c55e6722ee 100644 --- a/doc/src/fix_ehex.txt +++ b/doc/src/fix_ehex.txt @@ -69,11 +69,11 @@ additional thermostatting force to the equations of motion, such that the time evolution of coordinates and momenta of particle \(i\) becomes "(Wirnsberger)"_#Wirnsberger -:c,image(src/Eqs/fix_ehex_eom.jpg) +:c,image(Eqs/fix_ehex_eom.jpg) The thermostatting force is given by -:c,image(src/Eqs/fix_ehex_f.jpg) +:c,image(Eqs/fix_ehex_f.jpg) where \(m_i\) is the mass and \(k(\mathbf r_i)\) maps the particle position to the respective reservoir. The quantity