diff --git a/doc/fix_adapt_fep.html b/doc/fix_adapt_fep.html index 95528260f6..a1e3009c1d 100644 --- a/doc/fix_adapt_fep.html +++ b/doc/fix_adapt_fep.html @@ -246,9 +246,6 @@ over the course of a 1000-step simulation:
variable size equal ramp(1.0,0.1) fix 1 center adapt 10 atom diameter * v_size-
When the run style is respa, this fix changes -parameters only on the outer loop (largest) timesteps. -
For rRESPA time integration, this fix changes parameters on the outermost rRESPA level.
diff --git a/doc/fix_adapt_fep.txt b/doc/fix_adapt_fep.txt index c4e977402f..45b364a814 100644 --- a/doc/fix_adapt_fep.txt +++ b/doc/fix_adapt_fep.txt @@ -232,9 +232,6 @@ over the course of a 1000-step simulation: variable size equal ramp(1.0,0.1) fix 1 center adapt 10 atom diameter * v_size :pre -When the "run style"_run_style.html is {respa}, this fix changes -parameters only on the outer loop (largest) timesteps. - For "rRESPA time integration"_run_style.html, this fix changes parameters on the outermost rRESPA level. diff --git a/doc/fix_gle.html b/doc/fix_gle.html index 5ae0c8783d..ec749d513b 100644 --- a/doc/fix_gle.html +++ b/doc/fix_gle.html @@ -13,7 +13,7 @@Syntax:
-fix ID id-group gle Ns Tstart Tstop seed Amatrix noneq Cmatrix every stride +fix ID id-group gle Ns Tstart Tstop seed Amatrix [noneq Cmatrix] [every stride]
IMPORTANT NOTE: this accumulated energy does NOT include kinetic +energy removed by the zero flag. LAMMPS will print a warning when +both options are active. +
The keyword zero can be used to eliminate drift due to the thermostat. Because the random forces on different atoms are independent, they do not sum exactly to zero. As a result, this fix diff --git a/doc/fix_langevin.txt b/doc/fix_langevin.txt index ed741c804c..30e70d93c5 100644 --- a/doc/fix_langevin.txt +++ b/doc/fix_langevin.txt @@ -217,6 +217,10 @@ the particles. As described below, this energy can then be printed out or added to the potential energy of the system to monitor energy conservation. +IMPORTANT NOTE: this accumulated energy does NOT include kinetic +energy removed by the {zero} flag. LAMMPS will print a warning when +both options are active. + The keyword {zero} can be used to eliminate drift due to the thermostat. Because the random forces on different atoms are independent, they do not sum exactly to zero. As a result, this fix