diff --git a/doc/src/thermo_style.rst b/doc/src/thermo_style.rst index a5a8935dc4..24bc839566 100644 --- a/doc/src/thermo_style.rst +++ b/doc/src/thermo_style.rst @@ -314,10 +314,10 @@ explanation of why this sign choice makes sense. The *econserve* keyword is the sum of the potential and kinetic energy of the system as well as the energy that has been transferred by -thermostatting or barostatting to their coupling reservoirs. I.e. it -is *pe* + *ke* + *econserve*\ . Ideally, for a simulation in the NVE, +thermostatting or barostatting to their coupling reservoirs -- that is, +*econserve* = *pe* + *ke* + *ecouple*\ . Ideally, for a simulation in the NVT, NPH, or NPT ensembles, the *econserve* quantity should remain constant -over time. +over time even though *etotal* changes. The *fmax* and *fnorm* keywords are useful for monitoring the progress of an :doc:`energy minimization `. The *fmax* keyword