pair args = pstyle param I J variable +pair args = pstyle pparam I J v_name pstyle = pair style name, e.g. lj/cut pparam = parameter to adapt over time I,J = type pair(s) to set parameter for - pvariable = name of variable that calculates value of parameter - atom args = param variable + v_name = variable with name that calculates value of pparam + atom args = aparam v_name aparam = parameter to adapt over time - avariable = name of variable that calculates value of parameter + v_name = variable with name that calculates value of aparamExamples:
-fix 1 all adapt 1 pair soft a 1 1 prefactor -fix 1 all adapt 1 pair soft a 2* 3 prefactor -fix 1 all adapt 1 pair soft a * * prefactor soft a 3 3 prefactor2 -fix 1 all adapt 10 atom diameter size +fix 1 all adapt 1 pair soft a 1 1 v_prefactor +fix 1 all adapt 1 pair soft a 2* 3 v_prefactor +fix 1 all adapt 1 pair soft a * * v_prefactor soft a 3 3 v_prefactor2 +fix 1 all adapt 10 atom diameter v_sizeDescription:
@@ -101,13 +101,14 @@ asterisks imply type pairs where J < I, they are ignored.If a global parameter is specified, the I and J settings still need to be specified, but are ignored.
-The pvariable argument is the name of an equal-style -variable which will be evaluated each time this fix is -invoked to set the parameter to a new value. Equal-style variables -can specify formulas with various mathematical functions, and include -thermo_style command keywords for the simulation -box parameters and timestep and elapsed time. Thus it is easy to -specify parameters that change as a function of time or span +
The v_name argument for keyword pair is the name of an +equal-style variable which will be evaluated each time +this fix is invoked to set the parameter to a new value. It should be +specified as v_name, where name is the variable name. Equal-style +variables can specify formulas with various mathematical functions, +and include thermo_style command keywords for the +simulation box parameters and timestep and elapsed time. Thus it is +easy to specify parameters that change as a function of time or span consecutive runs in a continuous fashion. For the latter, see the start and stop keywords of the run command and the elaplong keyword of thermo_style custom for @@ -118,7 +119,7 @@ the pair_style soft potential from 10.0 to 30.0 i linear fashion over the course of a simulation:
variable prefactor equal ramp(10,30) -fix 1 all adapt 1 pair soft a * * prefactor +fix 1 all adapt 1 pair soft a * * v_prefactorThe atom keyword enables various atom properties to be changed. The aparam argument is the name of the parameter to change. This is the @@ -126,21 +127,20 @@ current list of atom parameters that can be varied by this fix:
The avariable argument is the name of an equal-style -variable which will be evaluated each time this fix is -invoked to set the parameter to a new value. See the discussion above -describing the formulas associated with equal-style variables. The -new value is assigned to the corresponding attribute for all atoms in -the fix group. +
The v_name argument of the atom keyword is the name of an +equal-style variable which will be evaluated each time +this fix is invoked to set the parameter to a new value. It should be +specified as v_name, where name is the variable name. See the +discussion above describing the formulas associated with equal-style +variables. The new value is assigned to the corresponding attribute +for all atoms in the fix group.
For example, these commands would shrink the diameter of all granular particles in the "center" group from 1.0 to 0.1 in a linear fashion over the course of a 1000-step simulation:
-variable start equal 1.0 -variable stop equal 0.1 -variable size equal ramp(1.0,0.1) -fix 1 center adapt 10 atom diameter size +variable size equal ramp(1.0,0.1) +fix 1 center adapt 10 atom diameter v_sizeRestart, fix_modify, output, run start/stop, minimize info:
diff --git a/doc/fix_adapt.txt b/doc/fix_adapt.txt index d7fc6bcc44..55749fae20 100644 --- a/doc/fix_adapt.txt +++ b/doc/fix_adapt.txt @@ -16,22 +16,22 @@ adapt = style name of this fix command :l N = adapt simulation settings every this many timesteps :l one or more keyword/value pairs may be appended :l keyword = {pair} or {atom} :l - {pair} args = pstyle param I J variable + {pair} args = pstyle pparam I J v_name pstyle = pair style name, e.g. lj/cut pparam = parameter to adapt over time I,J = type pair(s) to set parameter for - pvariable = name of variable that calculates value of parameter - {atom} args = param variable + v_name = variable with name that calculates value of pparam + {atom} args = aparam v_name aparam = parameter to adapt over time - avariable = name of variable that calculates value of parameter :pre + v_name = variable with name that calculates value of aparam :pre :ule [Examples:] -fix 1 all adapt 1 pair soft a 1 1 prefactor -fix 1 all adapt 1 pair soft a 2* 3 prefactor -fix 1 all adapt 1 pair soft a * * prefactor soft a 3 3 prefactor2 -fix 1 all adapt 10 atom diameter size :pre +fix 1 all adapt 1 pair soft a 1 1 v_prefactor +fix 1 all adapt 1 pair soft a 2* 3 v_prefactor +fix 1 all adapt 1 pair soft a * * v_prefactor soft a 3 3 v_prefactor2 +fix 1 all adapt 10 atom diameter v_size :pre [Description:] @@ -89,13 +89,14 @@ asterisks imply type pairs where J < I, they are ignored. If a global parameter is specified, the {I} and {J} settings still need to be specified, but are ignored. -The {pvariable} argument is the name of an equal-style -"variable"_variable.html which will be evaluated each time this fix is -invoked to set the parameter to a new value. Equal-style variables -can specify formulas with various mathematical functions, and include -"thermo_style"_thermo_style.html command keywords for the simulation -box parameters and timestep and elapsed time. Thus it is easy to -specify parameters that change as a function of time or span +The {v_name} argument for keyword {pair} is the name of an +"equal-style variable"_variable.html which will be evaluated each time +this fix is invoked to set the parameter to a new value. It should be +specified as v_name, where name is the variable name. Equal-style +variables can specify formulas with various mathematical functions, +and include "thermo_style"_thermo_style.html command keywords for the +simulation box parameters and timestep and elapsed time. Thus it is +easy to specify parameters that change as a function of time or span consecutive runs in a continuous fashion. For the latter, see the {start} and {stop} keywords of the "run"_run.html command and the {elaplong} keyword of "thermo_style custom"_thermo_style.html for @@ -106,7 +107,7 @@ the "pair_style soft"_pair_soft.html potential from 10.0 to 30.0 in a linear fashion over the course of a simulation: variable prefactor equal ramp(10,30) -fix 1 all adapt 1 pair soft a * * prefactor :pre +fix 1 all adapt 1 pair soft a * * v_prefactor :pre The {atom} keyword enables various atom properties to be changed. The {aparam} argument is the name of the parameter to change. This is the @@ -114,21 +115,20 @@ current list of atom parameters that can be varied by this fix: diameter = diameter of particle :ul -The {avariable} argument is the name of an equal-style -"variable"_variable.html which will be evaluated each time this fix is -invoked to set the parameter to a new value. See the discussion above -describing the formulas associated with equal-style variables. The -new value is assigned to the corresponding attribute for all atoms in -the fix group. +The {v_name} argument of the {atom} keyword is the name of an +"equal-style variable"_variable.html which will be evaluated each time +this fix is invoked to set the parameter to a new value. It should be +specified as v_name, where name is the variable name. See the +discussion above describing the formulas associated with equal-style +variables. The new value is assigned to the corresponding attribute +for all atoms in the fix group. For example, these commands would shrink the diameter of all granular particles in the "center" group from 1.0 to 0.1 in a linear fashion over the course of a 1000-step simulation: -variable start equal 1.0 -variable stop equal 0.1 variable size equal ramp(1.0,0.1) -fix 1 center adapt 10 atom diameter size :pre +fix 1 center adapt 10 atom diameter v_size :pre [Restart, fix_modify, output, run start/stop, minimize info:] diff --git a/doc/fix_addforce.html b/doc/fix_addforce.html index c2a33dfff6..d82cfc5699 100644 --- a/doc/fix_addforce.html +++ b/doc/fix_addforce.html @@ -29,8 +29,8 @@region value = region-ID region-ID = ID of region atoms must be in to have added force - energy value = variable-ID - variable-ID = ID of variable that calculates the potential energy of each atom in the added force field + energy value = v_name + v_name = variable with name that calculates the potential energy of each atom in the added force field@@ -38,7 +38,7 @@fix kick flow addforce 1.0 0.0 0.0 fix kick flow addforce 1.0 0.0 v_oscillate -fix ff boundary addforce 0.0 0.0 v_push energy espace +fix ff boundary addforce 0.0 0.0 v_push energy v_espaceDescription:
@@ -50,9 +50,9 @@ a channel.Any of the 3 quantities defining the force components can be specified as an equal-style or atom-style variable, namely fx, fy, fz. If the value is a variable, it should be specified as -v_ID, where ID is the variable ID. In this case, the variable will be -evaluated each timestep, and its value used to determine the force -component. +v_name, where name is the variable name. In this case, the variable +will be evaluated each timestep, and its value used to determine the +force component.
Equal-style variables can specify formulas with various mathematical functions, and include thermo_style command @@ -91,11 +91,11 @@ the energy to 0.0, which is typically fine for dynamics.
The energy keyword is required if the added force is defined with one or more variables, and you are performing energy minimization via -the "minimize" command. The keyword specifies the ID of an atom-style -variable which is used to compute the energy of each -atom as function of its position. Unlike variables used for fx, -fy, fz, the energy variable is specified by ID only, without a -"v_" prefix. +the "minimize" command. The keyword specifies the name of an +atom-style variable which is used to compute the +energy of each atom as function of its position. Like variables used +for fx, fy, fz, the energy variable is specified as v_name, +where name is the variable name.
Note that when the energy keyword is used during an energy minimization, you must insure that the formula defined for the diff --git a/doc/fix_addforce.txt b/doc/fix_addforce.txt index 31d132eef6..6484cd32e8 100644 --- a/doc/fix_addforce.txt +++ b/doc/fix_addforce.txt @@ -20,15 +20,15 @@ zero or more keyword/value pairs may be appended to args :l keyword = {region} :l {region} value = region-ID region-ID = ID of region atoms must be in to have added force - {energy} value = variable-ID - variable-ID = ID of variable that calculates the potential energy of each atom in the added force field :pre + {energy} value = v_name + v_name = variable with name that calculates the potential energy of each atom in the added force field :pre :ule [Examples:] fix kick flow addforce 1.0 0.0 0.0 fix kick flow addforce 1.0 0.0 v_oscillate -fix ff boundary addforce 0.0 0.0 v_push energy espace :pre +fix ff boundary addforce 0.0 0.0 v_push energy v_espace :pre [Description:] @@ -40,9 +40,9 @@ a channel. Any of the 3 quantities defining the force components can be specified as an equal-style or atom-style "variable"_variable.html, namely {fx}, {fy}, {fz}. If the value is a variable, it should be specified as -v_ID, where ID is the variable ID. In this case, the variable will be -evaluated each timestep, and its value used to determine the force -component. +v_name, where name is the variable name. In this case, the variable +will be evaluated each timestep, and its value used to determine the +force component. Equal-style variables can specify formulas with various mathematical functions, and include "thermo_style"_thermo_style.html command @@ -81,11 +81,11 @@ the energy to 0.0, which is typically fine for dynamics. The {energy} keyword is required if the added force is defined with one or more variables, and you are performing energy minimization via -the "minimize" command. The keyword specifies the ID of an atom-style -"variable"_variable.html which is used to compute the energy of each -atom as function of its position. Unlike variables used for {fx}, -{fy}, {fz}, the energy variable is specified by ID only, without a -"v_" prefix. +the "minimize" command. The keyword specifies the name of an +atom-style "variable"_variable.html which is used to compute the +energy of each atom as function of its position. Like variables used +for {fx}, {fy}, {fz}, the energy variable is specified as v_name, +where name is the variable name. Note that when the {energy} keyword is used during an energy minimization, you must insure that the formula defined for the diff --git a/doc/fix_ave_histo.html b/doc/fix_ave_histo.html index d25ba65c34..f9385555ae 100644 --- a/doc/fix_ave_histo.html +++ b/doc/fix_ave_histo.html @@ -81,8 +81,8 @@ commands, and can also be written to a file.
The group specified with this command is ignored for global and local input values. For per-atom input values, only atoms in the group contribute to the histogram. Note that regardless of the specified -group, calculations may be performed by computes and fixes which store -their own "group" definition. +group, specified values may represent calculations performed by +computes and fixes which store their own "group" definition.
A histogram is simply a count of the number of values that fall within a histogram bin. Nbins are defined, with even spacing between lo diff --git a/doc/fix_ave_histo.txt b/doc/fix_ave_histo.txt index 5de902dc22..5726529eac 100644 --- a/doc/fix_ave_histo.txt +++ b/doc/fix_ave_histo.txt @@ -69,8 +69,8 @@ commands"_Section_howto.html#4_15, and can also be written to a file. The group specified with this command is ignored for global and local input values. For per-atom input values, only atoms in the group contribute to the histogram. Note that regardless of the specified -group, calculations may be performed by computes and fixes which store -their own "group" definition. +group, specified values may represent calculations performed by +computes and fixes which store their own "group" definition. A histogram is simply a count of the number of values that fall within a histogram bin. {Nbins} are defined, with even spacing between {lo} diff --git a/doc/fix_ave_time.html b/doc/fix_ave_time.html index 7861c6b7f3..4f93d7d567 100644 --- a/doc/fix_ave_time.html +++ b/doc/fix_ave_time.html @@ -46,7 +46,7 @@ filename = name of file to output time averages to ave args = one or running or window M one = output a new average value every Nfreq steps - running = output cumulative average of all previous Nfreq steps + running = output cummulative average of all previous Nfreq steps window M = output average of M most recent Nfreq steps start args = Nstart Nstart = start averaging on this timestep @@ -79,8 +79,8 @@ used as a convenient way to simply output one or more global values to a file.
The group specified with this command is ignored. However, note that -calculations may be performed by computes and fixes which store their -own "group" definitions. +specified values may represent calculations performed by computes and +fixes which store their own "group" definitions.
Each input value can be the result of a compute or fix or the evaluation of an equal-style @@ -209,7 +209,7 @@ output as-is without further averaging.
If the ave setting is running, then the values produced on timesteps that are multiples of Nfreq are summed and averaged in a -cumulative sense before being output. Each output value is thus the +cummulative sense before being output. Each output value is thus the average of the value produced on that timestep with all preceding values. This running average begins when the fix is defined; it can only be restarted by deleting the fix via the unfix diff --git a/doc/fix_ave_time.txt b/doc/fix_ave_time.txt index 5bcf72cb7a..e18e364b92 100644 --- a/doc/fix_ave_time.txt +++ b/doc/fix_ave_time.txt @@ -34,7 +34,7 @@ keyword = {mode} or {file} or {ave} or {start} or {off} or {title1} or {title2} filename = name of file to output time averages to {ave} args = {one} or {running} or {window M} one = output a new average value every Nfreq steps - running = output cumulative average of all previous Nfreq steps + running = output cummulative average of all previous Nfreq steps window M = output average of M most recent Nfreq steps {start} args = Nstart Nstart = start averaging on this timestep @@ -66,8 +66,8 @@ used as a convenient way to simply output one or more global values to a file. The group specified with this command is ignored. However, note that -calculations may be performed by computes and fixes which store their -own "group" definitions. +specified values may represent calculations performed by computes and +fixes which store their own "group" definitions. Each input value can be the result of a "compute"_compute.html or "fix"_fix.html or the evaluation of an equal-style @@ -196,7 +196,7 @@ output as-is without further averaging. If the {ave} setting is {running}, then the values produced on timesteps that are multiples of {Nfreq} are summed and averaged in a -cumulative sense before being output. Each output value is thus the +cummulative sense before being output. Each output value is thus the average of the value produced on that timestep with all preceding values. This running average begins when the fix is defined; it can only be restarted by deleting the fix via the "unfix"_unfix.html diff --git a/doc/fix_aveforce.html b/doc/fix_aveforce.html index 72190ab685..2a0e6fe28d 100644 --- a/doc/fix_aveforce.html +++ b/doc/fix_aveforce.html @@ -57,9 +57,10 @@ average value without adding in any additional force.
Any of the 3 quantities defining the force components can be specified as an equal-style variable, namely fx, fy, fz. -If the value is a variable, it should be specified as v_ID, where ID -is the variable ID. In this case, the variable will be evaluated each -timestep, and its value used to determine the average force. +If the value is a variable, it should be specified as v_name, where +name is the variable name. In this case, the variable will be +evaluated each timestep, and its value used to determine the average +force.
Equal-style variables can specify formulas with various mathematical functions, and include thermo_style command diff --git a/doc/fix_aveforce.txt b/doc/fix_aveforce.txt index a5254f2100..b6a5399df1 100644 --- a/doc/fix_aveforce.txt +++ b/doc/fix_aveforce.txt @@ -47,9 +47,10 @@ average value without adding in any additional force. Any of the 3 quantities defining the force components can be specified as an equal-style "variable"_variable.html, namely {fx}, {fy}, {fz}. -If the value is a variable, it should be specified as v_ID, where ID -is the variable ID. In this case, the variable will be evaluated each -timestep, and its value used to determine the average force. +If the value is a variable, it should be specified as v_name, where +name is the variable name. In this case, the variable will be +evaluated each timestep, and its value used to determine the average +force. Equal-style variables can specify formulas with various mathematical functions, and include "thermo_style"_thermo_style.html command diff --git a/doc/fix_efield.html b/doc/fix_efield.html index 0f8dda17cf..894caeb94e 100644 --- a/doc/fix_efield.html +++ b/doc/fix_efield.html @@ -33,8 +33,8 @@ external electric field being applied to the system.
Any of the 3 quantities defining the E-field components can be specified as an equal-style or atom-style variable, namely ex, ey, ez. If the value is a variable, it should be -specified as v_ID, where ID is the variable ID. In this case, the -variable will be evaluated each timestep, and its value used to +specified as v_name, where name is the variable name. In this case, +the variable will be evaluated each timestep, and its value used to determine the E-field component.
Equal-style variables can specify formulas with various mathematical diff --git a/doc/fix_efield.txt b/doc/fix_efield.txt index 3cb4801cb1..70562d5cde 100644 --- a/doc/fix_efield.txt +++ b/doc/fix_efield.txt @@ -30,8 +30,8 @@ external electric field being applied to the system. Any of the 3 quantities defining the E-field components can be specified as an equal-style or atom-style "variable"_variable.html, namely {ex}, {ey}, {ez}. If the value is a variable, it should be -specified as v_ID, where ID is the variable ID. In this case, the -variable will be evaluated each timestep, and its value used to +specified as v_name, where name is the variable name. In this case, +the variable will be evaluated each timestep, and its value used to determine the E-field component. Equal-style variables can specify formulas with various mathematical diff --git a/doc/fix_indent.html b/doc/fix_indent.html index f5f57b5982..945aad6186 100644 --- a/doc/fix_indent.html +++ b/doc/fix_indent.html @@ -102,9 +102,9 @@ be specified as an equal-style variable, namely y, z, or R. Similarly, for a cylindrical indenter, any of c1, c2, or R, can be a variable. For a planar indenter, pos can be a variable. If the value is a variable, it should be specified as -v_ID, where ID is the variable ID. In this case, the variable will be -evaluated each timestep, and its value used to define the indenter -geometry. +v_name, where name is the variable name. In this case, the variable +will be evaluated each timestep, and its value used to define the +indenter geometry.
Note that equal-style variables can specify formulas with various mathematical functions, and include thermo_style diff --git a/doc/fix_indent.txt b/doc/fix_indent.txt index 1064b3402e..eacdb72d4b 100644 --- a/doc/fix_indent.txt +++ b/doc/fix_indent.txt @@ -93,9 +93,9 @@ be specified as an equal-style "variable"_variable.html, namely {x}, {y}, {z}, or {R}. Similarly, for a cylindrical indenter, any of {c1}, {c2}, or {R}, can be a variable. For a planar indenter, {pos} can be a variable. If the value is a variable, it should be specified as -v_ID, where ID is the variable ID. In this case, the variable will be -evaluated each timestep, and its value used to define the indenter -geometry. +v_name, where name is the variable name. In this case, the variable +will be evaluated each timestep, and its value used to define the +indenter geometry. Note that equal-style variables can specify formulas with various mathematical functions, and include "thermo_style"_thermo_style.html diff --git a/doc/fix_move.html b/doc/fix_move.html index 70e92b26ca..c56dac4f4c 100644 --- a/doc/fix_move.html +++ b/doc/fix_move.html @@ -126,8 +126,8 @@ rotation.
The variable style allows the position and velocity components of each atom to be set by formulas specified via the variable command. Each of the 6 variables is -specified as an argument to the fix as v_name, where name is the -name of the variable that appears elsewhere in the input script. +specified as an argument to the fix as v_name, where name is the +variable name that is defined elsewhere in the input script.
Each variable must be of either the equal or atom style. Equal-style variables compute a single numeric quantity, that can be diff --git a/doc/fix_move.txt b/doc/fix_move.txt index 7154fee32b..f46724f808 100644 --- a/doc/fix_move.txt +++ b/doc/fix_move.txt @@ -117,8 +117,8 @@ rotation. The {variable} style allows the position and velocity components of each atom to be set by formulas specified via the "variable"_variable.html command. Each of the 6 variables is -specified as an argument to the fix as v_name, where {name} is the -name of the variable that appears elsewhere in the input script. +specified as an argument to the fix as v_name, where name is the +variable name that is defined elsewhere in the input script. Each variable must be of either the {equal} or {atom} style. {Equal}-style variables compute a single numeric quantity, that can be diff --git a/doc/fix_setforce.html b/doc/fix_setforce.html index 318400d47d..454e46a0ee 100644 --- a/doc/fix_setforce.html +++ b/doc/fix_setforce.html @@ -52,9 +52,9 @@ alter the force component in that dimension.
Any of the 3 quantities defining the force components can be specified as an equal-style or atom-style variable, namely fx, fy, fz. If the value is a variable, it should be specified as -v_ID, where ID is the variable ID. In this case, the variable will be -evaluated each timestep, and its value used to determine the force -component. +v_name, where name is the variable name. In this case, the variable +will be evaluated each timestep, and its value used to determine the +force component.
Equal-style variables can specify formulas with various mathematical functions, and include thermo_style command diff --git a/doc/fix_setforce.txt b/doc/fix_setforce.txt index a666d08358..c4b51e7011 100644 --- a/doc/fix_setforce.txt +++ b/doc/fix_setforce.txt @@ -42,9 +42,9 @@ alter the force component in that dimension. Any of the 3 quantities defining the force components can be specified as an equal-style or atom-style "variable"_variable.html, namely {fx}, {fy}, {fz}. If the value is a variable, it should be specified as -v_ID, where ID is the variable ID. In this case, the variable will be -evaluated each timestep, and its value used to determine the force -component. +v_name, where name is the variable name. In this case, the variable +will be evaluated each timestep, and its value used to determine the +force component. Equal-style variables can specify formulas with various mathematical functions, and include "thermo_style"_thermo_style.html command diff --git a/doc/fix_wall_reflect.html b/doc/fix_wall_reflect.html index 0023e16b8a..f146402b3a 100644 --- a/doc/fix_wall_reflect.html +++ b/doc/fix_wall_reflect.html @@ -78,14 +78,14 @@ EDGE is used, then the corresponding boundary of the current simulation box is used. If a numeric constant is specified then the wall is placed at that position in the appropriate dimension (x, y, or z). In both the EDGE and constant cases, the wall will never move. -If the face position is specified with a variable name v_ID, then ID -should be the name of an equal-style variable. In -this case the variable is evaluated each timestep and the result -becomes the current position of the reflecting wall. Equal-style -variables can specify formulas with various mathematical functions, -and include thermo_style command keywords for the -simulation box parameters and timestep and elapsed time. Thus it is -easy to specify a time-dependent wall position. +If the face position is a variable, it should be specified as v_name, +where name is an equal-style variable name. In this +case the variable is evaluated each timestep and the result becomes +the current position of the reflecting wall. Equal-style variables +can specify formulas with various mathematical functions, and include +thermo_style command keywords for the simulation +box parameters and timestep and elapsed time. Thus it is easy to +specify a time-dependent wall position.
The units keyword determines the meaning of the distance units used to define a face position, but only when a numeric constant is used. diff --git a/doc/fix_wall_reflect.txt b/doc/fix_wall_reflect.txt index a140ae5557..e58e17ec1b 100644 --- a/doc/fix_wall_reflect.txt +++ b/doc/fix_wall_reflect.txt @@ -67,14 +67,14 @@ EDGE is used, then the corresponding boundary of the current simulation box is used. If a numeric constant is specified then the wall is placed at that position in the appropriate dimension (x, y, or z). In both the EDGE and constant cases, the wall will never move. -If the face position is specified with a variable name v_ID, then ID -should be the name of an "equal-style variable"_variable.html. In -this case the variable is evaluated each timestep and the result -becomes the current position of the reflecting wall. Equal-style -variables can specify formulas with various mathematical functions, -and include "thermo_style"_thermo_style.html command keywords for the -simulation box parameters and timestep and elapsed time. Thus it is -easy to specify a time-dependent wall position. +If the face position is a variable, it should be specified as v_name, +where name is an "equal-style variable"_variable.html name. In this +case the variable is evaluated each timestep and the result becomes +the current position of the reflecting wall. Equal-style variables +can specify formulas with various mathematical functions, and include +"thermo_style"_thermo_style.html command keywords for the simulation +box parameters and timestep and elapsed time. Thus it is easy to +specify a time-dependent wall position. The {units} keyword determines the meaning of the distance units used to define a face position, but only when a numeric constant is used. diff --git a/doc/thermo_modify.html b/doc/thermo_modify.html index 4cac153196..2c8e2753d3 100644 --- a/doc/thermo_modify.html +++ b/doc/thermo_modify.html @@ -137,19 +137,18 @@ pressure compute specified by the press keyword will be unaffected by the temp setting.
The every keyword allows a variable to be specified which will -determine which timesteps thermodynamic output is generated. The -variable must be an equal-style variable, and is -specified as v_name, where "name" is the variable name. The variable -is evaluated at the beginning of a run to determine the next timestep -at which a dump snapshot will be written out. On that timestep, the -variable will be evaluated again to determine the next timestep, etc. -Thus the variable should return timestep values. See the stagger() -and logfreq() math functions for equal-style -variables, as examples of useful functions to use in -this context. Other similar math functions could easily be added as -options for equal-style variables. In addition, -thermodynamic output will always occur on the first and last timestep -of each run. +determine which timesteps thermodynamic output is generated. It must +be an equal-style variable, and is specified as +v_name, where name is the variable name. The variable is evaluated at +the beginning of a run to determine the next timestep at which a dump +snapshot will be written out. On that timestep, the variable will be +evaluated again to determine the next timestep, etc. Thus the +variable should return timestep values. See the stagger() and +logfreq() math functions for equal-style variables, as +examples of useful functions to use in this context. Other similar +math functions could easily be added as options for equal-style +variables. In addition, thermodynamic output will +always occur on the first and last timestep of each run.
For example, the following commands will output thermodynamic info at timesteps 0,10,20,30,100,200,300,1000,2000,etc: diff --git a/doc/thermo_modify.txt b/doc/thermo_modify.txt index d8742d954a..5c308d1e13 100644 --- a/doc/thermo_modify.txt +++ b/doc/thermo_modify.txt @@ -131,19 +131,18 @@ pressure compute specified by the {press} keyword will be unaffected by the {temp} setting. The {every} keyword allows a variable to be specified which will -determine which timesteps thermodynamic output is generated. The -variable must be an "equal-style variable"_variable.html, and is -specified as v_name, where "name" is the variable name. The variable -is evaluated at the beginning of a run to determine the next timestep -at which a dump snapshot will be written out. On that timestep, the -variable will be evaluated again to determine the next timestep, etc. -Thus the variable should return timestep values. See the stagger() -and logfreq() math functions for "equal-style -variables"_variable.html, as examples of useful functions to use in -this context. Other similar math functions could easily be added as -options for "equal-style variables"_variable.html. In addition, -thermodynamic output will always occur on the first and last timestep -of each run. +determine which timesteps thermodynamic output is generated. It must +be an "equal-style variable"_variable.html, and is specified as +v_name, where name is the variable name. The variable is evaluated at +the beginning of a run to determine the next timestep at which a dump +snapshot will be written out. On that timestep, the variable will be +evaluated again to determine the next timestep, etc. Thus the +variable should return timestep values. See the stagger() and +logfreq() math functions for "equal-style variables"_variable.html, as +examples of useful functions to use in this context. Other similar +math functions could easily be added as options for "equal-style +variables"_variable.html. In addition, thermodynamic output will +always occur on the first and last timestep of each run. For example, the following commands will output thermodynamic info at timesteps 0,10,20,30,100,200,300,1000,2000,etc: diff --git a/doc/thermo_style.html b/doc/thermo_style.html index 84a25ed14a..53fc4dabbf 100644 --- a/doc/thermo_style.html +++ b/doc/thermo_style.html @@ -279,9 +279,9 @@ when output, depending on the thermo_modify norm< option being used.
The v_name keyword allow the current value of a variable to be -output. The name in the keyword should be replaced by the actual name -of the variable that has been defined elsewhere in the input script. -Only equal-style variables can be referenced. See the +output. The name in the keyword should be replaced by the variable +name that has been defined elsewhere in the input script. Only +equal-style variables can be referenced. See the variable command for details. Variables of style equal can reference per-atom properties or thermodynamic keywords, or they can invoke other computes, fixes, or variables when evaluated, diff --git a/doc/thermo_style.txt b/doc/thermo_style.txt index 6661b97186..daa1ea836e 100644 --- a/doc/thermo_style.txt +++ b/doc/thermo_style.txt @@ -273,9 +273,9 @@ when output, depending on the "thermo_modify norm"_thermo_modify.html option being used. The {v_name} keyword allow the current value of a variable to be -output. The name in the keyword should be replaced by the actual name -of the variable that has been defined elsewhere in the input script. -Only equal-style variables can be referenced. See the +output. The name in the keyword should be replaced by the variable +name that has been defined elsewhere in the input script. Only +equal-style variables can be referenced. See the "variable"_variable.html command for details. Variables of style {equal} can reference per-atom properties or thermodynamic keywords, or they can invoke other computes, fixes, or variables when evaluated,