No information about this fix is written to binary restart files. None of the fix_modify options -are relevant to this fix. No global scalar or vector or per-atom -quantities are stored by this fix for access by various output -commands. No parameter of this fix can be -used with the start/stop keywords of the run command. +are relevant to this fix. +
+This fix computes a 3-vector of forces, which can be accessed by +various output commands. This is the total +force on the group of atoms before the forces on individual atoms are +changed by the fix. The vector values calculated by this fix are +"extensive", meaning they scale with the number of atoms in the +simulation. +
+No parameter of this fix can be used with the start/stop keywords of +the run command.
The forces due to this fix are imposed during an energy minimization, invoked by the minimize command. diff --git a/doc/fix_addforce.txt b/doc/fix_addforce.txt index 98562b3e13..cedbd0ee80 100644 --- a/doc/fix_addforce.txt +++ b/doc/fix_addforce.txt @@ -31,10 +31,17 @@ a channel. No information about this fix is written to "binary restart files"_restart.html. None of the "fix_modify"_fix_modify.html options -are relevant to this fix. No global scalar or vector or per-atom -quantities are stored by this fix for access by various "output -commands"_Section_howto.html#4_15. No parameter of this fix can be -used with the {start/stop} keywords of the "run"_run.html command. +are relevant to this fix. + +This fix computes a 3-vector of forces, which can be accessed by +various "output commands"_Section_howto.html#4_15. This is the total +force on the group of atoms before the forces on individual atoms are +changed by the fix. The vector values calculated by this fix are +"extensive", meaning they scale with the number of atoms in the +simulation. + +No parameter of this fix can be used with the {start/stop} keywords of +the "run"_run.html command. The forces due to this fix are imposed during an energy minimization, invoked by the "minimize"_minimize.html command. diff --git a/doc/fix_aveforce.html b/doc/fix_aveforce.html index 4939ab4aaa..00f905165f 100644 --- a/doc/fix_aveforce.html +++ b/doc/fix_aveforce.html @@ -45,10 +45,17 @@ value without adding in any additional force.
No information about this fix is written to binary restart files. None of the fix_modify options -are relevant to this fix. No global scalar or vector or per-atom -quantities are stored by this fix for access by various output -commands. No parameter of this fix can be -used with the start/stop keywords of the run command. +are relevant to this fix. +
+This fix computes a 3-vector of forces, which can be accessed by +various output commands. This is the total +force on the group of atoms before the forces on individual atoms are +changed by the fix. The vector values calculated by this fix are +"extensive", meaning they scale with the number of atoms in the +simulation. +
+No parameter of this fix can be used with the start/stop keywords of +the run command.
The forces due to this fix are imposed during an energy minimization, invoked by the minimize command. diff --git a/doc/fix_aveforce.txt b/doc/fix_aveforce.txt index b6c00eade7..25bbc939b7 100644 --- a/doc/fix_aveforce.txt +++ b/doc/fix_aveforce.txt @@ -42,10 +42,17 @@ value without adding in any additional force. No information about this fix is written to "binary restart files"_restart.html. None of the "fix_modify"_fix_modify.html options -are relevant to this fix. No global scalar or vector or per-atom -quantities are stored by this fix for access by various "output -commands"_Section_howto.html#4_15. No parameter of this fix can be -used with the {start/stop} keywords of the "run"_run.html command. +are relevant to this fix. + +This fix computes a 3-vector of forces, which can be accessed by +various "output commands"_Section_howto.html#4_15. This is the total +force on the group of atoms before the forces on individual atoms are +changed by the fix. The vector values calculated by this fix are +"extensive", meaning they scale with the number of atoms in the +simulation. + +No parameter of this fix can be used with the {start/stop} keywords of +the "run"_run.html command. The forces due to this fix are imposed during an energy minimization, invoked by the "minimize"_minimize.html command. diff --git a/doc/fix_langevin.html b/doc/fix_langevin.html index a4f934eeaa..ef7193ee0d 100644 --- a/doc/fix_langevin.html +++ b/doc/fix_langevin.html @@ -72,7 +72,7 @@ performs Nose/Hoover thermostatting AND time integration, this fix does NOT perform time integration. It only modifies forces to effect thermostatting. Thus you must use a separate time integration fix, like fix nve to actually update the velocities and -positions of atoms using the the modified forces. Likewise, this fix +positions of atoms using the modified forces. Likewise, this fix should not normally be used on atoms that also have their temperature controlled by another fix - e.g. by fix nvt or fix temp/rescale commands. diff --git a/doc/fix_langevin.txt b/doc/fix_langevin.txt index a9f1946898..e2be4640fd 100644 --- a/doc/fix_langevin.txt +++ b/doc/fix_langevin.txt @@ -62,7 +62,7 @@ performs Nose/Hoover thermostatting AND time integration, this fix does NOT perform time integration. It only modifies forces to effect thermostatting. Thus you must use a separate time integration fix, like "fix nve"_fix_nve.html to actually update the velocities and -positions of atoms using the the modified forces. Likewise, this fix +positions of atoms using the modified forces. Likewise, this fix should not normally be used on atoms that also have their temperature controlled by another fix - e.g. by "fix nvt"_fix_nvt.html or "fix temp/rescale"_fix_temp_rescale.html commands. diff --git a/doc/fix_setforce.html b/doc/fix_setforce.html index 642fe38e5c..9e21342de6 100644 --- a/doc/fix_setforce.html +++ b/doc/fix_setforce.html @@ -44,7 +44,7 @@ are relevant to this fix.
This fix computes a 3-vector of forces, which can be accessed by various output commands. This is the total force on the group of atoms before the forces on individual atoms are -reset by the fix. The vector values calculated by this fix are +changed by the fix. The vector values calculated by this fix are "extensive", meaning they scale with the number of atoms in the simulation.
diff --git a/doc/fix_setforce.txt b/doc/fix_setforce.txt index 90b6ddeb06..70ab0bc6e5 100644 --- a/doc/fix_setforce.txt +++ b/doc/fix_setforce.txt @@ -41,7 +41,7 @@ are relevant to this fix. This fix computes a 3-vector of forces, which can be accessed by various "output commands"_Section_howto.html#4_15. This is the total force on the group of atoms before the forces on individual atoms are -reset by the fix. The vector values calculated by this fix are +changed by the fix. The vector values calculated by this fix are "extensive", meaning they scale with the number of atoms in the simulation. diff --git a/doc/fix_temp_berendsen.html b/doc/fix_temp_berendsen.html index 14b4fab747..27473f21f6 100644 --- a/doc/fix_temp_berendsen.html +++ b/doc/fix_temp_berendsen.html @@ -27,7 +27,7 @@Description:
Reset the temperature of a group of atoms by using a Berendsen -thermostat (Berendsen), which rescale their velocities +thermostat (Berendsen), which rescales their velocities every timestep.
The desired temperature at each timestep is a ramped value during the @@ -108,7 +108,8 @@ fix for access by various output commands
fix nve, fix nvt, fix temp/rescale, fix langevin, -fix_modify, compute temp +fix_modify, compute temp, +fix press/berendsen
Default: none
diff --git a/doc/fix_temp_berendsen.txt b/doc/fix_temp_berendsen.txt index 03e9d4328b..2f79212f19 100644 --- a/doc/fix_temp_berendsen.txt +++ b/doc/fix_temp_berendsen.txt @@ -24,7 +24,7 @@ fix 1 all nvt 300.0 300.0 100.0 :pre [Description:] Reset the temperature of a group of atoms by using a Berendsen -thermostat "(Berendsen)"_#Berendsen, which rescale their velocities +thermostat "(Berendsen)"_#Berendsen, which rescales their velocities every timestep. The desired temperature at each timestep is a ramped value during the @@ -105,7 +105,8 @@ This fix is not invoked during "energy minimization"_minimize.html. "fix nve"_fix_nve.html, "fix nvt"_fix_nvt.html, "fix temp/rescale"_fix_temp_rescale.html, "fix langevin"_fix_langevin.html, -"fix_modify"_fix_modify.html, "compute temp"_compute_temp.html +"fix_modify"_fix_modify.html, "compute temp"_compute_temp.html, +"fix press/berendsen"_fix_press_berendsen.html [Default:] none