The vector values will be in distance units. +
The vector values calculated by this compute are "intensive". The +vector values will be in distance units.
Restrictions: none
diff --git a/doc/compute_gyration_molecule.txt b/doc/compute_gyration_molecule.txt index 3a74adeab3..98e6b22891 100644 --- a/doc/compute_gyration_molecule.txt +++ b/doc/compute_gyration_molecule.txt @@ -62,10 +62,8 @@ that uses global vector values from a compute as input. See "this section"_Section_howto.html#4_15 for an overview of LAMMPS output options. -The vector values calculated by this compute are "intensive", meaning -it is independent of the number of atoms in the simulation. - -The vector values will be in distance "units"_units.html. +The vector values calculated by this compute are "intensive". The +vector values will be in distance "units"_units.html. [Restrictions:] none diff --git a/doc/fix_addforce.html b/doc/fix_addforce.html index 9017270cbc..3672a57ce4 100644 --- a/doc/fix_addforce.html +++ b/doc/fix_addforce.html @@ -64,8 +64,7 @@ accessed by various output commands. Th scalar is the potential energy discussed above. The vector is the total force on the group of atoms before the forces on individual atoms are changed by the fix. The scalar vector values calculated by -this fix are "extensive", meaning they scale with the number of atoms -in the simulation. +this fix are "extensive".No parameter of this fix can be used with the start/stop keywords of the run command. diff --git a/doc/fix_addforce.txt b/doc/fix_addforce.txt index 38bc06f834..4003824ff9 100644 --- a/doc/fix_addforce.txt +++ b/doc/fix_addforce.txt @@ -55,8 +55,7 @@ accessed by various "output commands"_Section_howto.html#4_15. The scalar is the potential energy discussed above. The vector is the total force on the group of atoms before the forces on individual atoms are changed by the fix. The scalar vector values calculated by -this fix are "extensive", meaning they scale with the number of atoms -in the simulation. +this fix are "extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. diff --git a/doc/fix_ave_histo.html b/doc/fix_ave_histo.html index c12efdd4a4..e631ba640f 100644 --- a/doc/fix_ave_histo.html +++ b/doc/fix_ave_histo.html @@ -289,8 +289,7 @@ divided by the total count (not including missing counts), so that the values in the 3rd column sum to 1.0.
The vector and array values calculated by this fix are all treated as -"intensive", meaning they are independent of the number of atoms in -the simulation. If this is not the case, e.g. due to histogramming +"intensive". If this is not the case, e.g. due to histogramming per-atom input values, then you will need to account for that when interpreting the values produced by this fix.
diff --git a/doc/fix_ave_histo.txt b/doc/fix_ave_histo.txt index 9fe881f46c..f267dec1ab 100644 --- a/doc/fix_ave_histo.txt +++ b/doc/fix_ave_histo.txt @@ -277,8 +277,7 @@ divided by the total count (not including missing counts), so that the values in the 3rd column sum to 1.0. The vector and array values calculated by this fix are all treated as -"intensive", meaning they are independent of the number of atoms in -the simulation. If this is not the case, e.g. due to histogramming +"intensive". If this is not the case, e.g. due to histogramming per-atom input values, then you will need to account for that when interpreting the values produced by this fix. diff --git a/doc/fix_ave_spatial.html b/doc/fix_ave_spatial.html index 4b4078fe17..c0421031ab 100644 --- a/doc/fix_ave_spatial.html +++ b/doc/fix_ave_spatial.html @@ -301,8 +301,7 @@ quantities. When the array is accessed with an I that exceeds the current number of layers, than a 0.0 is returned by the fix instead of an error, since the number of layers can vary as a simulation runs, depending on the simulation box size. The array values calculated by -this fix are "intensive", meaning they are independent of the number -of atoms in the simulation, since they are already normalized by the +this fix are "intensive", since they are already normalized by the count of atoms in each layer.No parameter of this fix can be used with the start/stop keywords of diff --git a/doc/fix_ave_spatial.txt b/doc/fix_ave_spatial.txt index 011986c50e..0cda9dd55d 100644 --- a/doc/fix_ave_spatial.txt +++ b/doc/fix_ave_spatial.txt @@ -286,8 +286,7 @@ quantities. When the array is accessed with an I that exceeds the current number of layers, than a 0.0 is returned by the fix instead of an error, since the number of layers can vary as a simulation runs, depending on the simulation box size. The array values calculated by -this fix are "intensive", meaning they are independent of the number -of atoms in the simulation, since they are already normalized by the +this fix are "intensive", since they are already normalized by the count of atoms in each layer. No parameter of this fix can be used with the {start/stop} keywords of diff --git a/doc/fix_ave_time.html b/doc/fix_ave_time.html index c0ac0fe9ec..8b01cfa9f7 100644 --- a/doc/fix_ave_time.html +++ b/doc/fix_ave_time.html @@ -281,13 +281,11 @@ inputs.
If the fix prouduces a scalar or vector, then the scalar and each element of the vector may be either "intensive" or "extensive". If the fix produces an array, then all elements in the array will be -either "intensive" or "extensive". Intensive means the value is -independent of the number of atoms in the simulation. Extensive means -the value scales with the number of atoms in the simulation. If a -compute or fix provides the value being time averaged, then the -compute or fix determines whether the value is intensive or extensive; -see the doc page for that compute or fix for further info. Values -produced by a variable are whatever the variable calculates. +either "intensive" or "extensive". If a compute or fix provides the +value being time averaged, then the compute or fix determines whether +the value is intensive or extensive; see the doc page for that compute +or fix for further info. Values produced by a variable are whatever +the variable calculates.
No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy diff --git a/doc/fix_ave_time.txt b/doc/fix_ave_time.txt index f9c5dc80da..9b8c10cfbc 100644 --- a/doc/fix_ave_time.txt +++ b/doc/fix_ave_time.txt @@ -269,13 +269,11 @@ inputs. If the fix prouduces a scalar or vector, then the scalar and each element of the vector may be either "intensive" or "extensive". If the fix produces an array, then all elements in the array will be -either "intensive" or "extensive". Intensive means the value is -independent of the number of atoms in the simulation. Extensive means -the value scales with the number of atoms in the simulation. If a -compute or fix provides the value being time averaged, then the -compute or fix determines whether the value is intensive or extensive; -see the doc page for that compute or fix for further info. Values -produced by a variable are whatever the variable calculates. +either "intensive" or "extensive". If a compute or fix provides the +value being time averaged, then the compute or fix determines whether +the value is intensive or extensive; see the doc page for that compute +or fix for further info. Values produced by a variable are whatever +the variable calculates. No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy diff --git a/doc/fix_aveforce.html b/doc/fix_aveforce.html index 36fd348a86..7176281314 100644 --- a/doc/fix_aveforce.html +++ b/doc/fix_aveforce.html @@ -66,8 +66,7 @@ are relevant to this fix. 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. +"extensive".
No parameter of this fix can be used with the start/stop keywords of the run command. diff --git a/doc/fix_aveforce.txt b/doc/fix_aveforce.txt index 2e4406a684..5e60c33575 100644 --- a/doc/fix_aveforce.txt +++ b/doc/fix_aveforce.txt @@ -57,8 +57,7 @@ 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. +"extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. diff --git a/doc/fix_bond_swap.html b/doc/fix_bond_swap.html index d0846e5e37..93da22ec68 100644 --- a/doc/fix_bond_swap.html +++ b/doc/fix_bond_swap.html @@ -152,8 +152,7 @@ second component of the vector is the cummulative number of swaps attempted (whether accepted or rejected). Note that a swap "attempt" only occurs when swap partners meeting the criteria described above are found on a particular timestep. The vector values calculated by -this fix are "intensive", meaning they are independent of the number -of atoms in the simulation. +this fix are "intensive".
No parameter of this fix can be used with the start/stop keywords of
the run command. This fix is not invoked during energy
diff --git a/doc/fix_bond_swap.txt b/doc/fix_bond_swap.txt
index 7f58c813e7..8d96001ac9 100755
--- a/doc/fix_bond_swap.txt
+++ b/doc/fix_bond_swap.txt
@@ -149,8 +149,7 @@ second component of the vector is the cummulative number of swaps
attempted (whether accepted or rejected). Note that a swap "attempt"
only occurs when swap partners meeting the criteria described above
are found on a particular timestep. The vector values calculated by
-this fix are "intensive", meaning they are independent of the number
-of atoms in the simulation.
+this fix are "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
diff --git a/doc/fix_drag.html b/doc/fix_drag.html
index 00143431a9..14ad2f5558 100644
--- a/doc/fix_drag.html
+++ b/doc/fix_drag.html
@@ -48,8 +48,7 @@ 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 by the drag force. The vector values
-calculated by this fix are "extensive", meaning they scale with the
-number of atoms in the simulation.
+calculated by this fix are "extensive".
No parameter of this fix can be used with the start/stop keywords of
the run command. This fix is not invoked during energy
diff --git a/doc/fix_drag.txt b/doc/fix_drag.txt
index 86de0d37d2..67462cd8cc 100644
--- a/doc/fix_drag.txt
+++ b/doc/fix_drag.txt
@@ -46,8 +46,7 @@ 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 by the drag force. The vector values
-calculated by this fix are "extensive", meaning they scale with the
-number of atoms in the simulation.
+calculated by this fix are "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
diff --git a/doc/fix_dt_reset.html b/doc/fix_dt_reset.html
index e2ea8c7997..f4b7555627 100644
--- a/doc/fix_dt_reset.html
+++ b/doc/fix_dt_reset.html
@@ -73,8 +73,7 @@ are relevant to this fix.
The cumulative simulation time (in time units) is stored as the first
element of a vector. Both these quantities can be accessed by various
output commands. The scalar and vector
-values calculated by this fix are "intensive", meaning they are
-independent of the number of atoms in the simulation.
+values calculated by this fix are "intensive".
No parameter of this fix can be used with the start/stop keywords of
the run command. This fix is not invoked during energy
diff --git a/doc/fix_dt_reset.txt b/doc/fix_dt_reset.txt
index 595c47c93d..78064f2550 100644
--- a/doc/fix_dt_reset.txt
+++ b/doc/fix_dt_reset.txt
@@ -69,8 +69,7 @@ The current timestep size is stored as a scalar quantity by this fix.
The cumulative simulation time (in time units) is stored as the first
element of a vector. Both these quantities can be accessed by various
"output commands"_Section_howto.html#4_15. The scalar and vector
-values calculated by this fix are "intensive", meaning they are
-independent of the number of atoms in the simulation.
+values calculated by this fix are "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
diff --git a/doc/fix_evaporate.html b/doc/fix_evaporate.html
index e74272e6cd..a87806c4a8 100644
--- a/doc/fix_evaporate.html
+++ b/doc/fix_evaporate.html
@@ -51,8 +51,7 @@ are relevant to this fix.
The cummulative number of deleted atoms is stored as a scalar quantity
by this fix. This quantity can be accessed by various output
-commands. The scalar value is "intensive",
-meaning it is independent of the number of atoms in the simulation.
+commands
No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy diff --git a/doc/fix_evaporate.txt b/doc/fix_evaporate.txt index 6c4eda2443..57b1afe994 100644 --- a/doc/fix_evaporate.txt +++ b/doc/fix_evaporate.txt @@ -48,8 +48,7 @@ are relevant to this fix. The cummulative number of deleted atoms is stored as a scalar quantity by this fix. This quantity can be accessed by various "output -commands"_Section_howto.html#4_15. The scalar value is "intensive", -meaning it is independent of the number of atoms in the simulation. +commands"_Section_howto.html#4_15. The scalar value is "intensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy diff --git a/doc/fix_freeze.html b/doc/fix_freeze.html index 16e7fd7cf3..ce8c66a885 100644 --- a/doc/fix_freeze.html +++ b/doc/fix_freeze.html @@ -40,8 +40,7 @@ are relevant to this fix. 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. +"extensive".
No parameter of this fix can be used with the start/stop keywords of
the run command. This fix is not invoked during energy
diff --git a/doc/fix_freeze.txt b/doc/fix_freeze.txt
index 58700b148d..abfd9372b0 100644
--- a/doc/fix_freeze.txt
+++ b/doc/fix_freeze.txt
@@ -37,8 +37,7 @@ 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.
+"extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
diff --git a/doc/fix_heat.html b/doc/fix_heat.html
index a3bb9c0644..c37fe88354 100644
--- a/doc/fix_heat.html
+++ b/doc/fix_heat.html
@@ -71,8 +71,7 @@ are relevant to this fix.
This fix computes a scalar which can be accessed by various output
commands. This scalar is the most recent
value by which velocites were scaled. The scalar value calculated by
-this fix is "intensive", meaning it is independent of the number of
-atoms in the simulation.
+this fix is "intensive".
No parameter of this fix can be used with the start/stop keywords of
the run command. This fix is not invoked during energy
diff --git a/doc/fix_heat.txt b/doc/fix_heat.txt
index 7fe2108761..7984b4738e 100644
--- a/doc/fix_heat.txt
+++ b/doc/fix_heat.txt
@@ -68,8 +68,7 @@ are relevant to this fix.
This fix computes a scalar which can be accessed by various "output
commands"_Section_howto.html#4_15. This scalar is the most recent
value by which velocites were scaled. The scalar value calculated by
-this fix is "intensive", meaning it is independent of the number of
-atoms in the simulation.
+this fix is "intensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
diff --git a/doc/fix_indent.html b/doc/fix_indent.html
index aafc8407d0..89f61fe843 100644
--- a/doc/fix_indent.html
+++ b/doc/fix_indent.html
@@ -144,8 +144,7 @@ with the indenter is K/3 (r - R)^3.
This fix computes a scalar energy and a 3-vector of forces (on the
indenter), which can be accessed by various output
commands. The scalar and vector values
-calculated by this fix are "extensive", meaning they scale with the
-number of atoms in the simulation.
+calculated by this fix are "extensive".
This fix can adjust the indenter position and radius over multiple
runs, using the start and stop keywords of the run
diff --git a/doc/fix_indent.txt b/doc/fix_indent.txt
index 7e6c8d6157..0460bdb916 100644
--- a/doc/fix_indent.txt
+++ b/doc/fix_indent.txt
@@ -135,8 +135,7 @@ with the indenter is K/3 (r - R)^3.
This fix computes a scalar energy and a 3-vector of forces (on the
indenter), which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar and vector values
-calculated by this fix are "extensive", meaning they scale with the
-number of atoms in the simulation.
+calculated by this fix are "extensive".
This fix can adjust the indenter position and radius over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html
diff --git a/doc/fix_langevin.html b/doc/fix_langevin.html
index a165aa8d6a..c48d729b2e 100644
--- a/doc/fix_langevin.html
+++ b/doc/fix_langevin.html
@@ -173,9 +173,8 @@ setting the tally keyword to yes.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various output
commands. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation. Note that use of this option requires setting the
-tally keyword to yes.
+this fix is "extensive". Note that calculation of this quantity
+requires setting the tally keyword to yes.
This fix can ramp its target temperature over multiple runs, using the
start and stop keywords of the run command. See the
diff --git a/doc/fix_langevin.txt b/doc/fix_langevin.txt
index 4ee610166a..887ca2f0ed 100644
--- a/doc/fix_langevin.txt
+++ b/doc/fix_langevin.txt
@@ -163,9 +163,8 @@ setting the {tally} keyword to {yes}.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation. Note that use of this option requires setting the
-{tally} keyword to {yes}.
+this fix is "extensive". Note that calculation of this quantity
+requires setting the {tally} keyword to {yes}.
This fix can ramp its target temperature over multiple runs, using the
{start} and {stop} keywords of the "run"_run.html command. See the
diff --git a/doc/fix_nph.html b/doc/fix_nph.html
index f4f05de6b3..73988cd86c 100644
--- a/doc/fix_nph.html
+++ b/doc/fix_nph.html
@@ -190,8 +190,7 @@ output The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various output
commands. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target pressure over multiple runs, using the
start and stop keywords of the run command. See the
diff --git a/doc/fix_nph.txt b/doc/fix_nph.txt
index a9d9f15c4a..cc0f0f3f72 100644
--- a/doc/fix_nph.txt
+++ b/doc/fix_nph.txt
@@ -180,8 +180,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target pressure over multiple runs, using the
{start} and {stop} keywords of the "run"_run.html command. See the
diff --git a/doc/fix_npt.html b/doc/fix_npt.html
index e4442dc41c..245cb8a895 100644
--- a/doc/fix_npt.html
+++ b/doc/fix_npt.html
@@ -227,8 +227,7 @@ barostatting to the system's potential energy as part of
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various output
commands. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the start and stop keywords of the run
diff --git a/doc/fix_npt.txt b/doc/fix_npt.txt
index c2f27eec3f..81bd495baf 100644
--- a/doc/fix_npt.txt
+++ b/doc/fix_npt.txt
@@ -216,8 +216,7 @@ barostatting to the system's potential energy as part of
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html
diff --git a/doc/fix_npt_asphere.html b/doc/fix_npt_asphere.html
index 0d59cf5ea8..433857642e 100644
--- a/doc/fix_npt_asphere.html
+++ b/doc/fix_npt_asphere.html
@@ -201,8 +201,7 @@ barostatting to the system's potential energy as part of
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various output
commands. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the start and stop keywords of the run
diff --git a/doc/fix_npt_asphere.txt b/doc/fix_npt_asphere.txt
index 18ba6e614a..2018dbd6d7 100755
--- a/doc/fix_npt_asphere.txt
+++ b/doc/fix_npt_asphere.txt
@@ -190,8 +190,7 @@ barostatting to the system's potential energy as part of
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html
diff --git a/doc/fix_npt_sphere.html b/doc/fix_npt_sphere.html
index 43dc6eb80c..cd5c9edc67 100644
--- a/doc/fix_npt_sphere.html
+++ b/doc/fix_npt_sphere.html
@@ -203,8 +203,7 @@ barostatting to the system's potential energy as part of
The potential cummulative energy change due to this fix is stored as a
scalar quantity, which can be accessed by various output
commands. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the start and stop keywords of the run
diff --git a/doc/fix_npt_sphere.txt b/doc/fix_npt_sphere.txt
index 82a70ce19d..f9a9049a8a 100755
--- a/doc/fix_npt_sphere.txt
+++ b/doc/fix_npt_sphere.txt
@@ -192,8 +192,7 @@ barostatting to the system's potential energy as part of
The potential cummulative energy change due to this fix is stored as a
scalar quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature and pressure over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html
diff --git a/doc/fix_nve_limit.html b/doc/fix_nve_limit.html
index 4402aaeaba..4dd98a61c1 100644
--- a/doc/fix_nve_limit.html
+++ b/doc/fix_nve_limit.html
@@ -64,8 +64,7 @@ timestep in a velocity Verlet timestepping algorithm. This is a
cumulative quantity for the current run, but is re-initialized to
zero each time a run is performed. This value can be accessed by
various output commands. The scalar value
-calculated by this fix is "extensive", meaning it scales with the
-number of atoms in the simulation.
+calculated by this fix is "extensive".
No parameter of this fix can be used with the start/stop keywords of
the run command. This fix is not invoked during energy
diff --git a/doc/fix_nve_limit.txt b/doc/fix_nve_limit.txt
index 83a2f7c88d..5cdf8a6f0d 100644
--- a/doc/fix_nve_limit.txt
+++ b/doc/fix_nve_limit.txt
@@ -61,8 +61,7 @@ timestep in a velocity Verlet timestepping algorithm. This is a
cumulative quantity for the current run, but is re-initialized to
zero each time a run is performed. This value can be accessed by
various "output commands"_Section_howto.html#4_15. The scalar value
-calculated by this fix is "extensive", meaning it scales with the
-number of atoms in the simulation.
+calculated by this fix is "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
diff --git a/doc/fix_nvt.html b/doc/fix_nvt.html
index 7abdef9751..b4ac8a6fdc 100644
--- a/doc/fix_nvt.html
+++ b/doc/fix_nvt.html
@@ -151,8 +151,7 @@ output.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various output
commands. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature over multiple runs, using the
start and stop keywords of the run command. See the
diff --git a/doc/fix_nvt.txt b/doc/fix_nvt.txt
index 641108df37..b6ce9632a0 100644
--- a/doc/fix_nvt.txt
+++ b/doc/fix_nvt.txt
@@ -142,8 +142,7 @@ output"_thermo_style.html.
The cummulative energy change due to this fix is stored as a scalar
quantity, which can be accessed by various "output
commands"_Section_howto.html#4_15. The scalar value calculated by
-this fix is "extensive", meaning it scales with the number of atoms in
-the simulation.
+this fix is "extensive".
This fix can ramp its target temperature over multiple runs, using the
{start} and {stop} keywords of the "run"_run.html command. See the
diff --git a/doc/fix_nvt_asphere.html b/doc/fix_nvt_asphere.html
index 88ca5de6c4..88a07e5a72 100644
--- a/doc/fix_nvt_asphere.html
+++ b/doc/fix_nvt_asphere.html
@@ -125,8 +125,7 @@ output
The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive".
This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the diff --git a/doc/fix_nvt_asphere.txt b/doc/fix_nvt_asphere.txt index 6ef81f879f..0399eee9c1 100755 --- a/doc/fix_nvt_asphere.txt +++ b/doc/fix_nvt_asphere.txt @@ -116,8 +116,7 @@ output"_thermo_style.html. The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive". This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the diff --git a/doc/fix_nvt_sllod.html b/doc/fix_nvt_sllod.html index 484ad4e64b..b7af24d340 100644 --- a/doc/fix_nvt_sllod.html +++ b/doc/fix_nvt_sllod.html @@ -144,8 +144,7 @@ output.
The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive".
This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the diff --git a/doc/fix_nvt_sllod.txt b/doc/fix_nvt_sllod.txt index 9744a0d785..62ab5f2600 100644 --- a/doc/fix_nvt_sllod.txt +++ b/doc/fix_nvt_sllod.txt @@ -135,8 +135,7 @@ output"_thermo_style.html. The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive". This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the diff --git a/doc/fix_nvt_sphere.html b/doc/fix_nvt_sphere.html index 4f01220c7b..5262709bf6 100644 --- a/doc/fix_nvt_sphere.html +++ b/doc/fix_nvt_sphere.html @@ -128,8 +128,7 @@ output.
The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive".
This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the diff --git a/doc/fix_nvt_sphere.txt b/doc/fix_nvt_sphere.txt index 858d1adc6a..dd46c74cdb 100755 --- a/doc/fix_nvt_sphere.txt +++ b/doc/fix_nvt_sphere.txt @@ -119,8 +119,7 @@ output"_thermo_style.html. The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive". This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the diff --git a/doc/fix_orient_fcc.html b/doc/fix_orient_fcc.html index 6649708795..a3b92fec84 100644 --- a/doc/fix_orient_fcc.html +++ b/doc/fix_orient_fcc.html @@ -129,8 +129,7 @@ boundary driving force to the system's potential energy as part of
The potential energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive".
No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy diff --git a/doc/fix_orient_fcc.txt b/doc/fix_orient_fcc.txt index c1af022cc6..94f12713be 100644 --- a/doc/fix_orient_fcc.txt +++ b/doc/fix_orient_fcc.txt @@ -126,8 +126,7 @@ boundary driving force to the system's potential energy as part of The potential energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy diff --git a/doc/fix_rigid.html b/doc/fix_rigid.html index cd8b86f9bf..7e053ae76e 100644 --- a/doc/fix_rigid.html +++ b/doc/fix_rigid.html @@ -224,8 +224,7 @@ For the single keyword there is just one rigid body. For the For the group keyword, the list of group IDs determines the ordering of bodies.
-The array values calculated by this fix are "intensive", meaning they -are independent of the number of atoms in the simulation. +
The array values calculated by this fix are "intensive".
No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy diff --git a/doc/fix_rigid.txt b/doc/fix_rigid.txt index 7d25107a44..6c48d93981 100644 --- a/doc/fix_rigid.txt +++ b/doc/fix_rigid.txt @@ -215,8 +215,7 @@ For the {single} keyword there is just one rigid body. For the For the {group} keyword, the list of group IDs determines the ordering of bodies. -The array values calculated by this fix are "intensive", meaning they -are independent of the number of atoms in the simulation. +The array values calculated by this fix are "intensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy diff --git a/doc/fix_setforce.html b/doc/fix_setforce.html index 9e21342de6..8a5cbba152 100644 --- a/doc/fix_setforce.html +++ b/doc/fix_setforce.html @@ -45,8 +45,7 @@ are relevant to this fix. 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. +"extensive".
No parameter of this fix can be used with the start/stop keywords of the run command. diff --git a/doc/fix_setforce.txt b/doc/fix_setforce.txt index 70ab0bc6e5..4e3b98aa90 100644 --- a/doc/fix_setforce.txt +++ b/doc/fix_setforce.txt @@ -42,8 +42,7 @@ 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. +"extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. diff --git a/doc/fix_smd.html b/doc/fix_smd.html index a5b03466c2..d7788a0600 100644 --- a/doc/fix_smd.html +++ b/doc/fix_smd.html @@ -124,8 +124,7 @@ forces times displacement).
The force is the total force on the group of atoms by the spring. In the case of the couple style, it is the force on the fix group (group-ID) or the negative of the force on the 2nd group (group-ID2). -The vector values calculated by this fix are "extensive", meaning they -scale with the number of atoms in the simulation. +The vector values calculated by this fix are "extensive".
No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy diff --git a/doc/fix_smd.txt b/doc/fix_smd.txt index ee15c937f7..f3ec2a727f 100644 --- a/doc/fix_smd.txt +++ b/doc/fix_smd.txt @@ -115,8 +115,7 @@ forces times displacement). The force is the total force on the group of atoms by the spring. In the case of the {couple} style, it is the force on the fix group (group-ID) or the negative of the force on the 2nd group (group-ID2). -The vector values calculated by this fix are "extensive", meaning they -scale with the number of atoms in the simulation. +The vector values calculated by this fix are "extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy diff --git a/doc/fix_spring.html b/doc/fix_spring.html index 6bf78d0459..51615579a0 100644 --- a/doc/fix_spring.html +++ b/doc/fix_spring.html @@ -115,8 +115,7 @@ the spring, as a positive value if (r-R0) > 0 and a negative value if (r-R0) < 0. This sign convention can be useful when using the spring force to compute a potential of mean force (PMF).
-The scalar and vector values calculated by this fix are "extensive", -meaning they scale with the number of atoms in the simulation. +
The scalar and vector values calculated by this fix are "extensive".
No parameter of this fix can be used with the start/stop keywords of the run command. diff --git a/doc/fix_spring.txt b/doc/fix_spring.txt index 2f5fddca16..9508d0abab 100644 --- a/doc/fix_spring.txt +++ b/doc/fix_spring.txt @@ -108,8 +108,7 @@ the spring, as a positive value if (r-R0) > 0 and a negative value if (r-R0) < 0. This sign convention can be useful when using the spring force to compute a potential of mean force (PMF). -The scalar and vector values calculated by this fix are "extensive", -meaning they scale with the number of atoms in the simulation. +The scalar and vector values calculated by this fix are "extensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. diff --git a/doc/fix_temp_rescale.html b/doc/fix_temp_rescale.html index 270fa753f3..d320c24957 100644 --- a/doc/fix_temp_rescale.html +++ b/doc/fix_temp_rescale.html @@ -119,8 +119,7 @@ output.
The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive".
This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the diff --git a/doc/fix_temp_rescale.txt b/doc/fix_temp_rescale.txt index 3302914fec..353c8a08d8 100644 --- a/doc/fix_temp_rescale.txt +++ b/doc/fix_temp_rescale.txt @@ -116,8 +116,7 @@ output"_thermo_style.html. The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by -this fix is "extensive", meaning it scales with the number of atoms in -the simulation. +this fix is "extensive". This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the diff --git a/doc/fix_thermal_conductivity.html b/doc/fix_thermal_conductivity.html index 282dd75584..719af29a8a 100644 --- a/doc/fix_thermal_conductivity.html +++ b/doc/fix_thermal_conductivity.html @@ -115,8 +115,7 @@ the quantity are energy; see the units command for details. This quantity can be accessed by various output commands, such as thermo_style custom. The scalar value calculated by this fix is -"intensive", meaning it is independent of the number of atoms in the -simulation. +"intensive".
No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy diff --git a/doc/fix_thermal_conductivity.txt b/doc/fix_thermal_conductivity.txt index 32349e448f..5a1c65248a 100644 --- a/doc/fix_thermal_conductivity.txt +++ b/doc/fix_thermal_conductivity.txt @@ -105,8 +105,7 @@ the quantity are energy; see the "units"_units.html command for details. This quantity can be accessed by various "output commands"_Section_howto.html#4_15, such as "thermo_style custom"_thermo_style.html. The scalar value calculated by this fix is -"intensive", meaning it is independent of the number of atoms in the -simulation. +"intensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy diff --git a/doc/fix_ttm.html b/doc/fix_ttm.html index dbb7774ae0..9eafa09048 100644 --- a/doc/fix_ttm.html +++ b/doc/fix_ttm.html @@ -159,8 +159,7 @@ energy. As a result of this, users may notice slight fluctuations in the sum of the atomic and electronic subsystem energies reported at the end of the timestep.
-The vector values calculated by this fix are "extensive", -meaning they scale with the number of atoms in the simulation. +
The vector values calculated by this fix are "extensive".
IMPORTANT NOTE: The current implementation creates a copy of the electron grid that overlays the entire simulation domain, for each diff --git a/doc/fix_ttm.txt b/doc/fix_ttm.txt index 13223098c6..63eecb4d2e 100644 --- a/doc/fix_ttm.txt +++ b/doc/fix_ttm.txt @@ -156,8 +156,7 @@ energy. As a result of this, users may notice slight fluctuations in the sum of the atomic and electronic subsystem energies reported at the end of the timestep. -The vector values calculated by this fix are "extensive", -meaning they scale with the number of atoms in the simulation. +The vector values calculated by this fix are "extensive". IMPORTANT NOTE: The current implementation creates a copy of the electron grid that overlays the entire simulation domain, for each diff --git a/doc/fix_viscosity.html b/doc/fix_viscosity.html index 97badf0c6a..394c452e38 100644 --- a/doc/fix_viscosity.html +++ b/doc/fix_viscosity.html @@ -123,8 +123,7 @@ and accumlates thereafter, once every N steps. The units of the quantity are momentum = mass*velocity. This quantity can be accessed by various output commands, such as thermo_style custom. The scalar value calculated -by this fix is "intensive", meaning it is independent of the number of -atoms in the simulation. +by this fix is "intensive".
No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy diff --git a/doc/fix_viscosity.txt b/doc/fix_viscosity.txt index 4fca52de3b..0c57240719 100644 --- a/doc/fix_viscosity.txt +++ b/doc/fix_viscosity.txt @@ -112,8 +112,7 @@ and accumlates thereafter, once every N steps. The units of the quantity are momentum = mass*velocity. This quantity can be accessed by various "output commands"_Section_howto.html#4_15, such as "thermo_style custom"_thermo_style.html. The scalar value calculated -by this fix is "intensive", meaning it is independent of the number of -atoms in the simulation. +by this fix is "intensive". No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. This fix is not invoked during "energy diff --git a/doc/fix_wall.html b/doc/fix_wall.html index 905f05d93c..98dc04de1a 100644 --- a/doc/fix_wall.html +++ b/doc/fix_wall.html @@ -192,15 +192,14 @@ output.
This fix computes a scalar energy and a 6-length vector of forces (one force magnitude per wall), which can be accessed by various output commands. The scalar and vector values -calculated by this fix are "extensive", meaning they scale with the -number of atoms in the simulation. Note that the scalar energy is the -sum of interactions with all defined walls. If you want the energy on -a per-wall basis, you need to use multiple fix wall commands. The 6 -vector quantities are the force on the xlo wall, the xhi wall, -ylo, yhi, zlo, zhi. These values will only be non-zero if the -corresponding wall is defined. Note that an outward force on a wall -will be a negative value for lo walls and a positive value for hi -walls. +calculated by this fix are "extensive". Note that the scalar energy +is the sum of interactions with all defined walls. If you want the +energy on a per-wall basis, you need to use multiple fix wall +commands. The 6 vector quantities are the force on the xlo wall, +the xhi wall, ylo, yhi, zlo, zhi. These values will only be +non-zero if the corresponding wall is defined. Note that an outward +force on a wall will be a negative value for lo walls and a positive +value for hi walls.
No parameter of this fix can be used with the start/stop keywords of the run command. diff --git a/doc/fix_wall.txt b/doc/fix_wall.txt index 93dc73fe38..9c5b5a7c31 100644 --- a/doc/fix_wall.txt +++ b/doc/fix_wall.txt @@ -181,15 +181,14 @@ output"_thermo_style.html. This fix computes a scalar energy and a 6-length vector of forces (one force magnitude per wall), which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar and vector values -calculated by this fix are "extensive", meaning they scale with the -number of atoms in the simulation. Note that the scalar energy is the -sum of interactions with all defined walls. If you want the energy on -a per-wall basis, you need to use multiple fix wall commands. The 6 -vector quantities are the force on the {xlo} wall, the {xhi} wall, -{ylo}, {yhi}, {zlo}, {zhi}. These values will only be non-zero if the -corresponding wall is defined. Note that an outward force on a wall -will be a negative value for {lo} walls and a positive value for {hi} -walls. +calculated by this fix are "extensive". Note that the scalar energy +is the sum of interactions with all defined walls. If you want the +energy on a per-wall basis, you need to use multiple fix wall +commands. The 6 vector quantities are the force on the {xlo} wall, +the {xhi} wall, {ylo}, {yhi}, {zlo}, {zhi}. These values will only be +non-zero if the corresponding wall is defined. Note that an outward +force on a wall will be a negative value for {lo} walls and a positive +value for {hi} walls. No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. diff --git a/doc/fix_wall_region.html b/doc/fix_wall_region.html index 4f6c0545fd..ab537bead9 100644 --- a/doc/fix_wall_region.html +++ b/doc/fix_wall_region.html @@ -161,9 +161,8 @@ output.
This fix computes a scalar energy and a 3-length vector of forces, which can be accessed by various output commands. The scalar and vector values -calculated by this fix are "extensive", meaning they scale with the -number of atoms in the simulation. The scalar energy is the sum of -energy interactions for all particles interacting with the wall +calculated by this fix are "extensive". The scalar energy is the sum +of energy interactions for all particles interacting with the wall represented by the region surface. The 3 vector quantities are the x,y,z components of the total force acting on the wall due to the particles. diff --git a/doc/fix_wall_region.txt b/doc/fix_wall_region.txt index aff9f30a41..f15f2231a6 100644 --- a/doc/fix_wall_region.txt +++ b/doc/fix_wall_region.txt @@ -158,9 +158,8 @@ output"_thermo_style.html. This fix computes a scalar energy and a 3-length vector of forces, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar and vector values -calculated by this fix are "extensive", meaning they scale with the -number of atoms in the simulation. The scalar energy is the sum of -energy interactions for all particles interacting with the wall +calculated by this fix are "extensive". The scalar energy is the sum +of energy interactions for all particles interacting with the wall represented by the region surface. The 3 vector quantities are the x,y,z components of the total force acting on the wall due to the particles.