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[ESPResSo-devel] Langevin thermostat (cool/heat)
From: |
Jakub Krajniak |
Subject: |
[ESPResSo-devel] Langevin thermostat (cool/heat) |
Date: |
Tue, 24 Mar 2015 15:39:43 +0100 |
User-agent: |
Mozilla/5.0 (X11; Linux x86_64; rv:31.0) Gecko/20100101 Thunderbird/31.5.0 |
Dear all,
I have a question on Langevin thermostat, mainly the heat/cool down part.
Looking into the code:
https://github.com/espressomd/espresso/blob/master/src/core/thermostat.cpp#L142
void thermo_heat_up()
{
if(thermo_switch & THERMO_LANGEVIN) {
langevin_pref2_buffer = langevin_pref2;
langevin_pref2_rotation_buffer = langevin_pref2_rotation;
langevin_pref2 *= sqrt(3);
Why pref2 is multiply by sqrt(3), is it some rule of thumb or is there
any theory after that?
Could this heat/cool part cause some instability if the integrator is
restarted too often?
Best regards,
Jakub
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- [ESPResSo-devel] Langevin thermostat (cool/heat),
Jakub Krajniak <=