From a3c28800f4657db0c78232cd1766e7d4187d8744 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 6 Feb 2012 16:58:56 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7703 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_commands.html | 24 +-- doc/Section_commands.txt | 3 +- doc/Section_howto.html | 4 +- doc/Section_howto.txt | 4 +- doc/boundary.html | 5 +- doc/boundary.txt | 5 +- doc/change_box.html | 297 ++++++++++++++++++++++++++++++++++---- doc/change_box.txt | 293 +++++++++++++++++++++++++++++++++---- doc/displace_atoms.html | 36 ++--- doc/displace_atoms.txt | 36 ++--- doc/displace_box.html | 191 ------------------------ doc/displace_box.txt | 181 ----------------------- doc/fix_deform.html | 2 +- doc/fix_deform.txt | 2 +- 14 files changed, 597 insertions(+), 486 deletions(-) delete mode 100644 doc/displace_box.html delete mode 100644 doc/displace_box.txt diff --git a/doc/Section_commands.html b/doc/Section_commands.html index 2fa418e8ca..7c1a07a6e7 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -290,7 +290,7 @@ in the command's documentation.

delete_atoms, delete_bonds, displace_atoms, -displace_box, minimize, +change_box, minimize, neb prd, run, temper

Miscellaneous: @@ -317,17 +317,17 @@ in the command's documentation. angle_coeffangle_styleatom_modifyatom_stylebond_coeffbond_style boundarychange_boxclearcommunicatecomputecompute_modify create_atomscreate_boxdelete_atomsdelete_bondsdielectricdihedral_coeff -dihedral_styledimensiondisplace_atomsdisplace_boxdumpdump image -dump_modifyechofixfix_modifygroupif -improper_coeffimproper_styleincludejumpkspace_modifykspace_style -labellatticelogmassminimizemin_modify -min_stylenebneigh_modifyneighbornewtonnext -packagepair_coeffpair_modifypair_stylepair_writepartition -prdprintprocessorsquitread_dataread_restart -regionreplicatereset_timesteprestartrunrun_style -setshellspecial_bondssuffixtadtemper -thermothermo_modifythermo_styletimestepuncomputeundump -unfixunitsvariablevelocitywrite_restart +dihedral_styledimensiondisplace_atomsdumpdump imagedump_modify +echofixfix_modifygroupifimproper_coeff +improper_styleincludejumpkspace_modifykspace_stylelabel +latticelogmassminimizemin_modifymin_style +nebneigh_modifyneighbornewtonnextpackage +pair_coeffpair_modifypair_stylepair_writepartitionprd +printprocessorsquitread_dataread_restartregion +replicatereset_timesteprestartrunrun_styleset +shellspecial_bondssuffixtadtemperthermo +thermo_modifythermo_styletimestepuncomputeundumpunfix +unitsvariablevelocitywrite_restart

diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 773a5ed031..08d67735b0 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -286,7 +286,7 @@ Actions: "delete_atoms"_delete_atoms.html, "delete_bonds"_delete_bonds.html, "displace_atoms"_displace_atoms.html, -"displace_box"_displace_box.html, "minimize"_minimize.html, +"change_box"_change_box.html, "minimize"_minimize.html, "neb"_neb.html "prd"_prd.html, "run"_run.html, "temper"_temper.html Miscellaneous: @@ -330,7 +330,6 @@ in the command's documentation. "dihedral_style"_dihedral_style.html, "dimension"_dimension.html, "displace_atoms"_displace_atoms.html, -"displace_box"_displace_box.html, "dump"_dump.html, "dump image"_dump_image.html, "dump_modify"_dump_modify.html, diff --git a/doc/Section_howto.html b/doc/Section_howto.html index 221685fea3..041124e229 100644 --- a/doc/Section_howto.html +++ b/doc/Section_howto.html @@ -1660,8 +1660,8 @@ derivative w.r.t. e_i, it follows that C_ij is also symmetric, with at most 7*6/2 = 21 distinct elements.

At zero temperature, it is easy to estimate these derivatives by -deforming the cell in one of the six directions using the command -displace_box and measuring the change in the +deforming the simulation box in one of the six directions using the +change_box command and measuring the change in the stress tensor. A general-purpose script that does this is given in the examples/elastic directory described in this section. diff --git a/doc/Section_howto.txt b/doc/Section_howto.txt index b19befe7f2..1f14a0a51b 100644 --- a/doc/Section_howto.txt +++ b/doc/Section_howto.txt @@ -1647,8 +1647,8 @@ derivative w.r.t. e_i, it follows that C_ij is also symmetric, with at most 7*6/2 = 21 distinct elements. At zero temperature, it is easy to estimate these derivatives by -deforming the cell in one of the six directions using the command -"displace_box"_displace_box.html and measuring the change in the +deforming the simulation box in one of the six directions using the +"change_box"_change_box.html command and measuring the change in the stress tensor. A general-purpose script that does this is given in the examples/elastic directory described in "this section"_Section_example.html. diff --git a/doc/boundary.html b/doc/boundary.html index 38544ed2d8..602a3d4f0d 100644 --- a/doc/boundary.html +++ b/doc/boundary.html @@ -77,7 +77,10 @@ triclinic representations.

Restrictions:

This command cannot be used after the simulation box is defined by a -read_data or create_box command. +read_data or create_box command or +read_restart command. See the +change_box command for how to change the simulation +box boundaries after it has been defined.

For 2d simulations, the z dimension must be periodic.

diff --git a/doc/boundary.txt b/doc/boundary.txt index cfdb43ce21..ec559d7f2f 100644 --- a/doc/boundary.txt +++ b/doc/boundary.txt @@ -72,7 +72,10 @@ triclinic representations. [Restrictions:] This command cannot be used after the simulation box is defined by a -"read_data"_read_data.html or "create_box"_create_box.html command. +"read_data"_read_data.html or "create_box"_create_box.html command or +"read_restart"_read_restart.html command. See the +"change_box"_change_box.html command for how to change the simulation +box boundaries after it has been defined. For 2d simulations, the z dimension must be periodic. diff --git a/doc/change_box.html b/doc/change_box.html index e258ec2337..b504671ee9 100644 --- a/doc/change_box.html +++ b/doc/change_box.html @@ -13,51 +13,292 @@

Syntax:

-
change_box style 
+
change_box group-ID parameter args ... keyword args ... 
 

-
  • style = ortho or triclinic 
+
    • group-ID = ID of group of atoms to (optionally) displace 
 
-
        ortho = convert simulation box from non-orthogonal (triclinic) to orthogonal
-  triclinic = convert simulation box from orthogonal to non-orthogonal (triclinic) 
+
    • one or more parameter/arg pairs may be appended 
+
+
      parameter = x or y or z or xy or xz or yz or boundary or ortho or triclinic or set or remap
+  x, y, z args = style value(s)
+    style = final or delta or scale or volume
+      final values = lo hi
+        lo hi = box boundaries after displacement (distance units)
+      delta values = dlo dhi
+        dlo dhi = change in box boundaries after displacement (distance units)
+      scale values = factor
+        factor = multiplicative factor for change in box length after displacement
+      volume value = none = adjust this dim to preserve volume of system
+  xy, xz, yz args = style value
+    style = final or delta
+      final value = tilt
+        tilt = tilt factor after displacement (distance units)
+      delta value = dtilt
+        dtilt = change in tilt factor after displacement (distance units)
+  boundary args = x y z
+    x,y,z = p or s or f or m, one or two letters
+    p is periodic
+    f is non-periodic and fixed
+    s is non-periodic and shrink-wrapped
+    m is non-periodic and shrink-wrapped with a minimum value
+  ortho args = none = change box to orthogonal
+  (triclinic args = none = change box to triclinic
+  set args = none = store state of current box
+  remap args = none = remap atom coords from last saved state to current box 
 
      
+
    • zero or more keyword/value pairs may be appended 
+
+
    • keyword = units 
+
+
        units value = lattice or box
+    lattice = distances are defined in lattice units
+    box = distances are defined in simulation box units 
+
      
+
+
    
 
    Examples:
 
    
-
    change_box ortho
-change_box triclinic 
+
    change_box all xy final -2.0 z final 0.0 5.0 boundary p p f remap units box
+change_box all x scale 1.1 y volume z volume remap 
 
    
 
    Description:
 
    
-
    By default LAMMPS runs a simulation in an orthogonal, axis-aligned
-simulation box.  LAMMPS can also run simulations in non-orthogonal
-(triclinic) simulation boxes.  A box is
-defined as either orthogonal or non-orthogonal when it is created via
-the create_box, read_data, or
-read_restart commands.
+
    Change the volume and/or shape and/or boundary conditions for the
+simulation box.  Orthogonal simulation boxes have 3 adjustable size
+parameters (x,y,z).  Triclinic (non-orthogonal) simulation boxes have
+6 adjustable size/shape parameters (x,y,z,xy,xz,yz).  Any or all of
+them can be adjusted independently by this command.  Thus it can be
+used to expand or contract a box, or to apply a shear strain to a
+non-orthogonal box.  It can also be used to change the boundary
+conditions for the simulation box, similar to the
+boundary command.
 
    
-
    This command allows you to toggle the existing simulation box from
-orthogonal to non-orthogonal and vice versa.  For example, an initial
+
    The size and shape of the initial simulation box are specified by the
+create_box or read_data or
+read_restart command used to setup the simulation.
+The size and shape may be altered by subsequent runs, e.g. by use of
+the fix npt or fix deform commands.
+The create_box, read data, and
+read_restart commands also determine whether the
+simulation box is orthogonal or triclinic and their doc pages explain
+the meaning of the xy,xz,yz tilt factors.
+
    
+
    See Section_howto 12 of the doc pages
+for a geometric description of triclinic boxes, as defined by LAMMPS,
+and how to transform these parameters to and from other commonly used
+triclinic representations.
+
    
+
    The keywords used in this command are applied sequentially to the
+simulation box and the atoms in it, in the order specified.
+
    
+
    Before the sequence of keywords are invoked, the current box
+size/shape are stored, in case a remap keyword is used to map the
+atom coordinates from the previous box size/shape to the current one.
+
    
+
    After all the keywords have been processed, any shrink-wrap boundary
+conditions are invoked (see the boundary command)
+which may change simulation box boundaries, and atoms are migrated to
+new owning processors.
+
    
+
    IMPORTANT NOTE: It is possible to lose atoms with this command.
+E.g. by changing the box without remapping the atoms, and having atoms
+end up outside of non-periodic boundaries.  It is also possible when
+remapping atoms to put them (nearly) on top of each other which will
+lead to bad dynamics.  E.g. by converting a boundary from non-periodic
+to periodic.
+
    
+
    IMPORTANT NOTE: The simulation box size/shape can be changed by
+arbitrarily large amounts by this command.  This is not a problem,
+except that the mapping of processors to the simulation box is not
+changed from its initial 3d configuration; see the
+processors command.  Thus, if the box size/shape
+changes dramatically, the mapping of processors to the simulation box
+may not end up as optimal as the initial mapping attempted to be.
+
    
+
    
+
+
    For the x, y, and z parameters, this is the meaning of their
+styles and values.
+
    
+
    For style final, the final lo and hi box boundaries of a dimension
+are specified.  The values can be in lattice or box distance units.
+See the discussion of the units keyword below.
+
    
+
    For style delta, plus or minus changes in the lo/hi box boundaries
+of a dimension are specified.  The values can be in lattice or box
+distance units.  See the discussion of the units keyword below.
+
    
+
    For style scale, a multiplicative factor to apply to the box length
+of a dimension is specified.  For example, if the initial box length
+is 10, and the factor is 1.1, then the final box length will be 11.  A
+factor less than 1.0 means compression.
+
    
+
    The volume style changes the specified dimension in such a way that
+the overall box volume remains constant with respect to the operation
+performed by the preceding keyword.  The volume style can only be
+used following a keyword that changed the volume, which is any of the
+x, y, z keywords.  If the preceding keyword "key" had a volume
+style, then both it and the current keyword apply to the keyword
+preceding "key".  I.e. this sequence of keywords is allowed:
+
    
+
    change_box all x scale 1.1 y volume z volume 
+
    
+
    The volume style changes the associated dimension so that the
+overall box volume is unchanged relative to its value before the
+preceding keyword was invoked. 
+
    
+
    If "x scale 1.1 z volume" is used, then the z box length will
+shrink by the same 1.1 factor the x box length was increased by.
+
    
+
    If "x scale 1.1 y volume z volume" is used, then the y,z box lengths
+will each shrink by sqrt(1.1) to keep the volume constant.  In this
+case, the y,z box lengths shrink so as to keep their relative aspect
+ratio constant.
+
    
+
    If "x scale 1.1 z volume y scale 1.1 z volume" is used, then
+the final box will be a factor of 10% larger in x and y, and a
+factor of 21% smaller in z, so as to keep the volume constant.
+
    
+
    IMPORTANT NOTE: For solids or liquids, when one dimension of the box
+is expanded, it may be physically undesirable to hold the other 2 box
+lengths constant since that implies a density change.  For solids,
+adjusting the other dimensions via the volume style may make
+physical sense (just as for a liquid), but may not be correct for
+materials and potentials whose Poisson ratio is not 0.5.
+
    
+
    For the scale and volume styles, the box length is expanded or
+compressed around its mid point.
+
    
+
    
+
+
    For the xy, xz, and yz parameters, this is the meaning of their
+styles and values.  Note that changing the tilt factors of a triclinic
+box does not change its volume.
+
    
+
    For style final, the final tilt factor is specified.  The value
+can be in lattice or box distance units.  See the discussion of the
+units keyword below.
+
    
+
    For style delta, a plus or minus change in the tilt factor is
+specified.  The value can be in lattice or box distance units.  See
+the discussion of the units keyword below.
+
    
+
    All of these styles change the xy, xz, yz tilt factors.  In LAMMPS,
+tilt factors (xy,xz,yz) for triclinic boxes are required to be no more
+than half the distance of the parallel box length.  For example, if
+xlo = 2 and xhi = 12, then the x box length is 10 and the xy tilt
+factor must be between -5 and 5.  Similarly, both xz and yz must be
+between -(xhi-xlo)/2 and +(yhi-ylo)/2.  Note that this is not a
+limitation, since if the maximum tilt factor is 5 (as in this
+example), then configurations with tilt = ..., -15, -5, 5, 15, 25,
+... are all equivalent.  Any tilt factor specified by this command
+must be within these limits.
+
    
+
    
+
+
    The boundary keyword takes arguments that have exactly the same
+meaning as they do for the boundary command.  In each
+dimension, a single letter assigns the same style to both the lower
+and upper face of the box.  Two letters assigns the first style to the
+lower face and the second style to the upper face.
+
    
+
    The style p means the box is periodic; the other styles mean
+non-periodic. For style f, the position of the face is fixed.  For
+style s, the position of the face is set so as to encompass the
+atoms in that dimension (shrink-wrapping), no matter how far they
+move.  For style m, shrink-wrapping occurs, but is bounded by the
+current box edge in that dimension, so that the box will become no
+smaller.  See the boundary command for more
+explanation of these style options.
+
    
+
    Note that the "boundary" command itself can only be used before the
+simulation box is defined via a read_data or
+create_box or read_restart
+command.  This command allows the boundary conditions to be changed
+later in your input script.  Also note that the
+read_restart will change boundary conditions to
+match what is stored in the restart file.  So if you wish to change
+them, you should use the change_box command after the read_restart
+command.
+
    
+
    
+
+
    The ortho and triclinic keywords convert the simulation box to be
+orthogonal or triclinic (non-orthongonal).  See this
+section for a discussion of how non-orthongal
+boxes are represented in LAMMPS.
+
    
+
    The simulation box is defined as either orthogonal or triclinic when
+it is created via the create_box,
+read_data, or read_restart
+commands.
+
    
+
    These keywords allow you to toggle the existing simulation box from
+orthogonal to triclinic and vice versa.  For example, an initial
 equilibration simulation can be run in an orthogonal box, the box can
-be toggled to non-orthogonal, and then a non-equilibrium MD (NEMD)
+be toggled to triclinic, and then a non-equilibrium MD (NEMD)
 simulation can be run with deformation
 via the fix deform command.
 
    
-
    Note that if the simulation box is currently non-orthogonal and has
-non-zero tilt in xy, yz, or xz, then it cannot be converted to an
-orthogonal box.
+
    If the simulation box is currently triclinic and has non-zero tilt in
+xy, yz, or xz, then it cannot be converted to an orthogonal box.
 
    
+
    
+
+
    The set keyword saves the current box size/shape.  This can be
+useful if you wish to use the remap keyword more than once or if you
+wish it to be applied to an intermediate box size/shape in a sequence
+of keyword operations.  Note that the box size/shape is saved before
+any of the keywords are processed, i.e. the box size/shape at the time
+the create_box command is encountered in the input script.
+
    
+
    The remap keyword remaps atom coordinates from the last saved box
+size/shape to the current box state.  For example, if you stretch the
+box in the x dimension or tilt it in the xy plane via the x and xy
+keywords, then the remap commmand will dilate or tilt the atoms to
+conform to the new box size/shape, as if the atoms moved with the box
+as it deformed.
+
    
+
    Note that this operation is performed without regard to periodic
+boundaries.  Any shrink-wrapping of non-periodic boundaries (see the
+boundary command occurs after all keywords, including
+this one, have been processed.
+
    
+
    Only atoms in the specified group are remapped.
+
    
+
    IMPORTANT NOTE: If you do not explicitly specify the remap keyword,
+atom coordinates will not be changed even though the box size/shape
+changes.  This may be the behavior you desire, but can also cause
+atoms to be lost.
+
    
+
    
+
+
    The units keyword determines the meaning of the distance units used
+to define various arguments.  A box value selects standard distance
+units as defined by the units command, e.g. Angstroms for
+units = real or metal.  A lattice value means the distance units are
+in lattice spacings.  The lattice command must have
+been previously used to define the lattice spacing.
+
    
+
    
+
 
    Restrictions:
 
    
-
    At the point in the input script when this command is issued, no
-dumps can be active, nor can a fix
-ave/spatial or fix deform be
-active.  This is because these commands test whether the simulation
-box is orthogonal when they are first issued.  Note that these
-commands can appear in your script before a change_box command is
-issued, so long as an undump or unfix
-command is also used to turn them off.
+
    If you use the ortho or triclinic keywords, then at the point in
+the input script when this command is issued, no dumps can
+be active, nor can a fix ave/spatial or fix
+deform be active.  This is because these commands
+test whether the simulation box is orthogonal when they are first
+issued.  Note that these commands can be used in your script before a
+change_box command is issued, so long as an undump or
+unfix command is also used to turn them off.
 
    
-
    Related commands: none
+
    Related commands:
 
    
-
    Default: none
+
    fix deform, boundary
+
    
+
    Default:
+
    
+
    The option default is units = lattice.
 
    
 
diff --git a/doc/change_box.txt b/doc/change_box.txt
index 78c2c757d9..1b16b42dce 100644
--- a/doc/change_box.txt
+++ b/doc/change_box.txt
@@ -10,48 +10,285 @@ change_box command :h3
 
 [Syntax:]
 
-change_box style :pre
+change_box group-ID parameter args ... keyword args ... :pre
 
-style = {ortho} or {triclinic} :l
-  {ortho} = convert simulation box from non-orthogonal (triclinic) to orthogonal
-  {triclinic} = convert simulation box from orthogonal to non-orthogonal (triclinic) :pre
+group-ID = ID of group of atoms to (optionally) displace :ulb,l
+one or more parameter/arg pairs may be appended :l
+parameter = {x} or {y} or {z} or {xy} or {xz} or {yz} or {boundary} or {ortho} or {triclinic} or {set} or {remap}
+  {x}, {y}, {z} args = style value(s)
+    style = {final} or {delta} or {scale} or {volume}
+      {final} values = lo hi
+        lo hi = box boundaries after displacement (distance units)
+      {delta} values = dlo dhi
+        dlo dhi = change in box boundaries after displacement (distance units)
+      {scale} values = factor
+        factor = multiplicative factor for change in box length after displacement
+      {volume} value = none = adjust this dim to preserve volume of system
+  {xy}, {xz}, {yz} args = style value
+    style = {final} or {delta}
+      {final} value = tilt
+        tilt = tilt factor after displacement (distance units)
+      {delta} value = dtilt
+        dtilt = change in tilt factor after displacement (distance units)
+  {boundary} args = x y z
+    x,y,z = {p} or {s} or {f} or {m}, one or two letters
+    {p} is periodic
+    {f} is non-periodic and fixed
+    {s} is non-periodic and shrink-wrapped
+    {m} is non-periodic and shrink-wrapped with a minimum value
+  {ortho} args = none = change box to orthogonal
+  (triclinic} args = none = change box to triclinic
+  {set} args = none = store state of current box
+  {remap} args = none = remap atom coords from last saved state to current box :pre
+
+zero or more keyword/value pairs may be appended :l
+keyword = {units} :l
+  {units} value = {lattice} or {box}
+    lattice = distances are defined in lattice units
+    box = distances are defined in simulation box units :pre
+:ule
 
 [Examples:]
 
-change_box ortho
-change_box triclinic :pre
+change_box all xy final -2.0 z final 0.0 5.0 boundary p p f remap units box
+change_box all x scale 1.1 y volume z volume remap :pre
 
 [Description:]
 
-By default LAMMPS runs a simulation in an orthogonal, axis-aligned
-simulation box.  LAMMPS can also run simulations in "non-orthogonal
-(triclinic) simulation boxes"_Section_howto.html#howto_12.  A box is
-defined as either orthogonal or non-orthogonal when it is created via
-the "create_box"_create_box.html, "read_data"_read_data.html, or
-"read_restart"_read_restart.html commands.
+Change the volume and/or shape and/or boundary conditions for the
+simulation box.  Orthogonal simulation boxes have 3 adjustable size
+parameters (x,y,z).  Triclinic (non-orthogonal) simulation boxes have
+6 adjustable size/shape parameters (x,y,z,xy,xz,yz).  Any or all of
+them can be adjusted independently by this command.  Thus it can be
+used to expand or contract a box, or to apply a shear strain to a
+non-orthogonal box.  It can also be used to change the boundary
+conditions for the simulation box, similar to the
+"boundary"_boundary.html command.
 
-This command allows you to toggle the existing simulation box from
-orthogonal to non-orthogonal and vice versa.  For example, an initial
+The size and shape of the initial simulation box are specified by the
+"create_box"_create_box.html or "read_data"_read_data.html or
+"read_restart"_read_restart.html command used to setup the simulation.
+The size and shape may be altered by subsequent runs, e.g. by use of
+the "fix npt"_fix_nh.html or "fix deform"_fix_deform.html commands.
+The "create_box"_create_box.html, "read data"_read_data.html, and
+"read_restart"_read_restart.html commands also determine whether the
+simulation box is orthogonal or triclinic and their doc pages explain
+the meaning of the xy,xz,yz tilt factors.
+
+See "Section_howto 12"_Section_howto.html#howto_12 of the doc pages
+for a geometric description of triclinic boxes, as defined by LAMMPS,
+and how to transform these parameters to and from other commonly used
+triclinic representations.
+
+The keywords used in this command are applied sequentially to the
+simulation box and the atoms in it, in the order specified.
+
+Before the sequence of keywords are invoked, the current box
+size/shape are stored, in case a {remap} keyword is used to map the
+atom coordinates from the previous box size/shape to the current one.
+
+After all the keywords have been processed, any shrink-wrap boundary
+conditions are invoked (see the "boundary"_boundary.html command)
+which may change simulation box boundaries, and atoms are migrated to
+new owning processors.
+
+IMPORTANT NOTE: It is possible to lose atoms with this command.
+E.g. by changing the box without remapping the atoms, and having atoms
+end up outside of non-periodic boundaries.  It is also possible when
+remapping atoms to put them (nearly) on top of each other which will
+lead to bad dynamics.  E.g. by converting a boundary from non-periodic
+to periodic.
+
+IMPORTANT NOTE: The simulation box size/shape can be changed by
+arbitrarily large amounts by this command.  This is not a problem,
+except that the mapping of processors to the simulation box is not
+changed from its initial 3d configuration; see the
+"processors"_processors.html command.  Thus, if the box size/shape
+changes dramatically, the mapping of processors to the simulation box
+may not end up as optimal as the initial mapping attempted to be.
+
+:line
+
+For the {x}, {y}, and {z} parameters, this is the meaning of their
+styles and values.
+
+For style {final}, the final lo and hi box boundaries of a dimension
+are specified.  The values can be in lattice or box distance units.
+See the discussion of the units keyword below.
+
+For style {delta}, plus or minus changes in the lo/hi box boundaries
+of a dimension are specified.  The values can be in lattice or box
+distance units.  See the discussion of the units keyword below.
+
+For style {scale}, a multiplicative factor to apply to the box length
+of a dimension is specified.  For example, if the initial box length
+is 10, and the factor is 1.1, then the final box length will be 11.  A
+factor less than 1.0 means compression.
+
+The {volume} style changes the specified dimension in such a way that
+the overall box volume remains constant with respect to the operation
+performed by the preceding keyword.  The {volume} style can only be
+used following a keyword that changed the volume, which is any of the
+{x}, {y}, {z} keywords.  If the preceding keyword "key" had a {volume}
+style, then both it and the current keyword apply to the keyword
+preceding "key".  I.e. this sequence of keywords is allowed:
+
+change_box all x scale 1.1 y volume z volume :pre
+
+The {volume} style changes the associated dimension so that the
+overall box volume is unchanged relative to its value before the
+preceding keyword was invoked. 
+
+If "x scale 1.1 z volume" is used, then the z box length will
+shrink by the same 1.1 factor the x box length was increased by.
+
+If "x scale 1.1 y volume z volume" is used, then the y,z box lengths
+will each shrink by sqrt(1.1) to keep the volume constant.  In this
+case, the y,z box lengths shrink so as to keep their relative aspect
+ratio constant.
+
+If "x scale 1.1 z volume y scale 1.1 z volume" is used, then
+the final box will be a factor of 10% larger in x and y, and a
+factor of 21% smaller in z, so as to keep the volume constant.
+
+IMPORTANT NOTE: For solids or liquids, when one dimension of the box
+is expanded, it may be physically undesirable to hold the other 2 box
+lengths constant since that implies a density change.  For solids,
+adjusting the other dimensions via the {volume} style may make
+physical sense (just as for a liquid), but may not be correct for
+materials and potentials whose Poisson ratio is not 0.5.
+
+For the {scale} and {volume} styles, the box length is expanded or
+compressed around its mid point.
+
+:line
+
+For the {xy}, {xz}, and {yz} parameters, this is the meaning of their
+styles and values.  Note that changing the tilt factors of a triclinic
+box does not change its volume.
+
+For style {final}, the final tilt factor is specified.  The value
+can be in lattice or box distance units.  See the discussion of the
+units keyword below.
+
+For style {delta}, a plus or minus change in the tilt factor is
+specified.  The value can be in lattice or box distance units.  See
+the discussion of the units keyword below.
+
+All of these styles change the xy, xz, yz tilt factors.  In LAMMPS,
+tilt factors (xy,xz,yz) for triclinic boxes are required to be no more
+than half the distance of the parallel box length.  For example, if
+xlo = 2 and xhi = 12, then the x box length is 10 and the xy tilt
+factor must be between -5 and 5.  Similarly, both xz and yz must be
+between -(xhi-xlo)/2 and +(yhi-ylo)/2.  Note that this is not a
+limitation, since if the maximum tilt factor is 5 (as in this
+example), then configurations with tilt = ..., -15, -5, 5, 15, 25,
+... are all equivalent.  Any tilt factor specified by this command
+must be within these limits.
+
+:line
+
+The {boundary} keyword takes arguments that have exactly the same
+meaning as they do for the "boundary"_boundary.html command.  In each
+dimension, a single letter assigns the same style to both the lower
+and upper face of the box.  Two letters assigns the first style to the
+lower face and the second style to the upper face.
+
+The style {p} means the box is periodic; the other styles mean
+non-periodic. For style {f}, the position of the face is fixed.  For
+style {s}, the position of the face is set so as to encompass the
+atoms in that dimension (shrink-wrapping), no matter how far they
+move.  For style {m}, shrink-wrapping occurs, but is bounded by the
+current box edge in that dimension, so that the box will become no
+smaller.  See the "boundary"_boundary.html command for more
+explanation of these style options.
+
+Note that the "boundary" command itself can only be used before the
+simulation box is defined via a "read_data"_read_data.html or
+"create_box"_create_box.html or "read_restart"_read_restart.html
+command.  This command allows the boundary conditions to be changed
+later in your input script.  Also note that the
+"read_restart"_read_restart.html will change boundary conditions to
+match what is stored in the restart file.  So if you wish to change
+them, you should use the change_box command after the read_restart
+command.
+
+:line
+
+The {ortho} and {triclinic} keywords convert the simulation box to be
+orthogonal or triclinic (non-orthongonal).  See "this
+section"_Section_howto#howto_13 for a discussion of how non-orthongal
+boxes are represented in LAMMPS.
+
+The simulation box is defined as either orthogonal or triclinic when
+it is created via the "create_box"_create_box.html,
+"read_data"_read_data.html, or "read_restart"_read_restart.html
+commands.
+
+These keywords allow you to toggle the existing simulation box from
+orthogonal to triclinic and vice versa.  For example, an initial
 equilibration simulation can be run in an orthogonal box, the box can
-be toggled to non-orthogonal, and then a "non-equilibrium MD (NEMD)
+be toggled to triclinic, and then a "non-equilibrium MD (NEMD)
 simulation"_Section_howto.html#howto_13 can be run with deformation
 via the "fix deform"_fix_deform.html command.
 
-Note that if the simulation box is currently non-orthogonal and has
-non-zero tilt in xy, yz, or xz, then it cannot be converted to an
-orthogonal box.
+If the simulation box is currently triclinic and has non-zero tilt in
+xy, yz, or xz, then it cannot be converted to an orthogonal box.
+
+:line
+
+The {set} keyword saves the current box size/shape.  This can be
+useful if you wish to use the {remap} keyword more than once or if you
+wish it to be applied to an intermediate box size/shape in a sequence
+of keyword operations.  Note that the box size/shape is saved before
+any of the keywords are processed, i.e. the box size/shape at the time
+the create_box command is encountered in the input script.
+
+The {remap} keyword remaps atom coordinates from the last saved box
+size/shape to the current box state.  For example, if you stretch the
+box in the x dimension or tilt it in the xy plane via the {x} and {xy}
+keywords, then the {remap} commmand will dilate or tilt the atoms to
+conform to the new box size/shape, as if the atoms moved with the box
+as it deformed.
+
+Note that this operation is performed without regard to periodic
+boundaries.  Any shrink-wrapping of non-periodic boundaries (see the
+"boundary"_boundary.html command occurs after all keywords, including
+this one, have been processed.
+
+Only atoms in the specified group are remapped.
+
+IMPORTANT NOTE: If you do not explicitly specify the {remap} keyword,
+atom coordinates will not be changed even though the box size/shape
+changes.  This may be the behavior you desire, but can also cause
+atoms to be lost.
+
+:line
+
+The {units} keyword determines the meaning of the distance units used
+to define various arguments.  A {box} value selects standard distance
+units as defined by the "units"_units.html command, e.g. Angstroms for
+units = real or metal.  A {lattice} value means the distance units are
+in lattice spacings.  The "lattice"_lattice.html command must have
+been previously used to define the lattice spacing.
+
+:line
 
 [Restrictions:]
 
-At the point in the input script when this command is issued, no
-"dumps"_dump.html can be active, nor can a "fix
-ave/spatial"_fix_ave_spatial.html or "fix deform"_fix_deform.html be
-active.  This is because these commands test whether the simulation
-box is orthogonal when they are first issued.  Note that these
-commands can appear in your script before a change_box command is
-issued, so long as an "undump"_undump.html or "unfix"_unfix.html
-command is also used to turn them off.
+If you use the {ortho} or {triclinic} keywords, then at the point in
+the input script when this command is issued, no "dumps"_dump.html can
+be active, nor can a "fix ave/spatial"_fix_ave_spatial.html or "fix
+deform"_fix_deform.html be active.  This is because these commands
+test whether the simulation box is orthogonal when they are first
+issued.  Note that these commands can be used in your script before a
+change_box command is issued, so long as an "undump"_undump.html or
+"unfix"_unfix.html command is also used to turn them off.
 
-[Related commands:] none
+[Related commands:]
 
-[Default:] none
+"fix deform"_fix_deform.html, "boundary"_boundary.html
+
+[Default:]
+
+The option default is units = lattice.
diff --git a/doc/displace_atoms.html b/doc/displace_atoms.html
index 3c433bc2c3..9f46e08d97 100644
--- a/doc/displace_atoms.html
+++ b/doc/displace_atoms.html
@@ -76,29 +76,29 @@ define the lattice spacing.
 
    
 
    
 
-
    Care should be taken not to move atoms on top of other atoms.  After
-the move, atoms are remapped into the periodic simulation box if
-needed.
+
    IMPORTANT NOTE: Care should be taken not to move atoms on top of other
+atoms.  After the move, atoms are remapped into the periodic
+simulation box if needed, and any shrink-wrap boundary conditions (see
+the boundary command) are enforced which may change
+the box size.  Other than this effect, this command does not change
+the size or shape of the simulation box.  See the
+change_box command if that effect is desired.
 
    
-
    Atoms can be moved arbitrarily long distances by this command.  If the
-simulation box is non-periodic, this can change its size or shape.
-This is not a problem, except that the mapping of processors to the
-simulation box is not changed by this command from its initial 3d
-configuration; see the processors command.  Thus, if
-the box size or shape changes dramatically, the simulation may not be
-as well load-balanced (atoms per processor) as the initial mapping
-tried to achieve.
+
    IMPORTANT NOTE: Atoms can be moved arbitrarily long distances by this
+command.  If the simulation box is non-periodic and shrink-wrapped
+(see the boundary command), this can change its size
+or shape.  This is not a problem, except that the mapping of
+processors to the simulation box is not changed by this command from
+its initial 3d configuration; see the processors
+command.  Thus, if the box size/shape changes dramatically, the
+mapping of processors to the simulation box may not end up as optimal
+as the initial mapping attempted to be.
 
    
-
    Restrictions:
-
    
-
    This command requires inter-processor communication to migrate atoms
-once they have been displaced.  This means that your system must be
-ready to perform a simulation before using this command (force fields
-are setup, atom masses are set, etc).
+
    Restrictions: none
 
    
 
    Related commands:
 
    
-
    lattice
+
    lattice, change_box
 
    
 
    Default:
 
    
diff --git a/doc/displace_atoms.txt b/doc/displace_atoms.txt
index d26f58e258..53585c059c 100644
--- a/doc/displace_atoms.txt
+++ b/doc/displace_atoms.txt
@@ -68,29 +68,29 @@ define the lattice spacing.
 
 :line
 
-Care should be taken not to move atoms on top of other atoms.  After
-the move, atoms are remapped into the periodic simulation box if
-needed.
+IMPORTANT NOTE: Care should be taken not to move atoms on top of other
+atoms.  After the move, atoms are remapped into the periodic
+simulation box if needed, and any shrink-wrap boundary conditions (see
+the "boundary"_boundary.html command) are enforced which may change
+the box size.  Other than this effect, this command does not change
+the size or shape of the simulation box.  See the
+"change_box"_change_box.html command if that effect is desired.
 
-Atoms can be moved arbitrarily long distances by this command.  If the
-simulation box is non-periodic, this can change its size or shape.
-This is not a problem, except that the mapping of processors to the
-simulation box is not changed by this command from its initial 3d
-configuration; see the "processors"_processors.html command.  Thus, if
-the box size or shape changes dramatically, the simulation may not be
-as well load-balanced (atoms per processor) as the initial mapping
-tried to achieve.
+IMPORTANT NOTE: Atoms can be moved arbitrarily long distances by this
+command.  If the simulation box is non-periodic and shrink-wrapped
+(see the "boundary"_boundary.html command), this can change its size
+or shape.  This is not a problem, except that the mapping of
+processors to the simulation box is not changed by this command from
+its initial 3d configuration; see the "processors"_processors.html
+command.  Thus, if the box size/shape changes dramatically, the
+mapping of processors to the simulation box may not end up as optimal
+as the initial mapping attempted to be.
 
-[Restrictions:]
-
-This command requires inter-processor communication to migrate atoms
-once they have been displaced.  This means that your system must be
-ready to perform a simulation before using this command (force fields
-are setup, atom masses are set, etc).
+[Restrictions:] none
 
 [Related commands:]
 
-"lattice"_lattice.html
+"lattice"_lattice.html, "change_box"_change_box.html
 
 [Default:]
 
diff --git a/doc/displace_box.html b/doc/displace_box.html
deleted file mode 100644
index d589e686c1..0000000000
--- a/doc/displace_box.html
+++ /dev/null
@@ -1,191 +0,0 @@
-
-
    LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands 
-
    
-
-
-
-
-
-
-
    
-
-
    displace_box command 
-
    
-
    Syntax:
-
    
-
    displace_box group-ID parameter args ... keyword value ... 
-
    
-
    • group-ID = ID of group of atoms to displace 
-
-
    • one or more parameter/arg pairs may be appended 
-
-
      parameter = x or y or z or xy or xz or yz
-  x, y, z args = style value(s)
-    style = final or delta or scale or volume
-      final values = lo hi
-        lo hi = box boundaries at end of run (distance units)
-      delta values = dlo dhi
-        dlo dhi = change in box boundaries at end of run (distance units)
-      scale values = factor
-        factor = multiplicative factor for change in box length at end of run
-      volume value = none = adjust this dim to preserve volume of system
-  xy, xz, yz args = style value
-    style = final or delta
-      final value = tilt
-        tilt = tilt factor at end of run (distance units)
-      delta value = dtilt
-        dtilt = change in tilt factor at end of run (distance units) 
-
      
-
    • zero or more keyword/value pairs may be appended 
-
-
    • keyword = remap or units 
-
-
        remap value = x or none
-    x = remap coords of atoms in group into deforming box
-    none = no remapping of coords
-  units value = lattice or box
-    lattice = distances are defined in lattice units
-    box = distances are defined in simulation box units 
-
      
-
-
    
-
    Examples:
-
    
-
    displace_box all xy final -2.0 z final 0.0 5.0 units box
-displace_box all x scale 1.1 y volume z volume 
-
    
-
    Description:
-
    
-
    Change the volume and/or shape of the simulation box.  Orthogonal
-simulation boxes have 3 adjustable parameters (x,y,z).  Triclinic
-(non-orthogonal) simulation boxes have 6 adjustable parameters
-(x,y,z,xy,xz,yz).  Any or all of them can be adjusted independently
-and simultaneously by this command.  This fix can be used to expand or
-contract a box, or to apply a shear strain to a non-orthogonal box.
-
    
-
    Any parameter varied by this command must refer to a periodic
-dimension - see the boundary command.  For parameters
-"xy", "xz", and "yz" this means both affected dimensions must be
-periodic, e.g. x and y for "xy".  Dimensions not varied by this
-command can be periodic or non-periodic.
-
    
-
    The size and shape of the initial simulation box are specified by the
-create_box or read_data or
-read_restart command used to setup the simulation,
-or they are the values from the end of the previous run.  The
-create_box, read data, and
-read_restart commands also determine whether the
-simulation box is orthogonal or triclinic and their doc pages explain
-the meaning of the xy,xz,yz tilt factors.  If the displace_box command
-changes the xy,xz,yz tilt factors, then the simulation box must be
-triclinic, even if its initial tilt factors are 0.0.
-
    
-
    
-
-
    For the x, y, and z parameters, this is the meaning of their
-styles and values.
-
    
-
    For style final, the final lo and hi box boundaries of a dimension
-are specified.  The values can be in lattice or box distance units.
-See the discussion of the units keyword below.
-
    
-
    For style delta, plus or minus changes in the lo/hi box boundaries
-of a dimension are specified.  The values can be in lattice or box
-distance units.  See the discussion of the units keyword below.
-
    
-
    For style scale, a multiplicative factor to apply to the box length
-of a dimension is specified.  For example, if the initial box length
-is 10, and the factor is 1.1, then the final box length will be 11.  A
-factor less than 1.0 means compression.
-
    
-
    The volume style changes the specified dimension in such a way that
-the box volume remains constant while other box dimensions are changed
-explicitly via the styles discussed above.  For example, "x scale 1.1
-y scale 1.1 z volume" will shrink the z box length as the x,y box
-lengths increase, to keep the volume constant (product of x,y,z
-lengths).  If "x scale 1.1 z volume" is specified and parameter y is
-unspecified, then the z box length will shrink as x increases to keep
-the product of x,z lengths constant.  If "x scale 1.1 y volume z
-volume" is specified, then both the y,z box lengths will shrink as x
-increases to keep the volume constant (product of x,y,z lengths).  In
-this case, the y,z box lengths shrink so as to keep their relative
-aspect ratio constant.
-
    
-
    For solids or liquids, note that when one dimension of the box is
-expanded by this command, it may be physically undesirable to hold the
-other 2 box lengths constant (unspecified by this command) since that
-implies a density change.  Using the volume style for those 2
-dimensions to keep the box volume constant may make more physical
-sense, but may also not be correct for materials and potentials whose
-Poisson ratio is not 0.5.
-
    
-
    For the scale and volume styles, the box length is expanded or
-compressed around its mid point.
-
    
-
    
-
-
    For the xy, xz, and yz parameters, this is the meaning of their
-styles and values.  Note that changing the tilt factors of a triclinic
-box does not change its volume.
-
    
-
    For style final, the final tilt factor is specified.  The value
-can be in lattice or box distance units.  See the discussion of the
-units keyword below.
-
    
-
    For style delta, a plus or minus change in the tilt factor is
-specified.  The value can be in lattice or box distance units.  See
-the discussion of the units keyword below.
-
    
-
    All of these styles change the xy, xz, yz tilt factors.  In LAMMPS,
-tilt factors (xy,xz,yz) for triclinic boxes are always bounded by half
-the distance of the parallel box length.  For example, if xlo = 2 and
-xhi = 12, then the x box length is 10 and the xy tilt factor must be
-between -5 and 5.  Similarly, both xz and yz must be between
--(xhi-xlo)/2 and +(yhi-ylo)/2.  Note that this is not a limitation,
-since if the maximum tilt factor is 5 (as in this example), then
-configurations with tilt = ..., -15, -5, 5, 15, 25, ... are all
-equivalent.  Any tilt factor specified by this command must be within
-these limits.
-
    
-
    
-
-
    The remap keyword determines whether atom positions are re-mapped to
-the new box.  If remap is set to x (the default), atoms in the fix
-group are re-mapped; otherwise they are not.  If remap is set to
-none, then this remapping does not take place.
-
    
-
    The units keyword determines the meaning of the distance units used
-to define various arguments.  A box value selects standard distance
-units as defined by the units command, e.g. Angstroms for
-units = real or metal.  A lattice value means the distance units are
-in lattice spacings.  The lattice command must have
-been previously used to define the lattice spacing.
-
    
-
    
-
-
    The simulation box size or shape can be changed by arbitrarily large
-amounts by this command.  This is not a problem, except that the
-mapping of processors to the simulation box is not changed by this
-command from its initial 3d configuration; see the
-processors command.  Thus, if the box size or shape
-changes dramatically, the simulation may not be as well load-balanced
-(atoms per processor) as the initial mapping tried to achieve.
-
    
-
    Restrictions:
-
    
-
    Any box dimension varied by this fix must be periodic.
-
    
-
    This command requires inter-processor communication to migrate atoms
-once they have moved.  This means that your system must be ready to
-perform a simulation before using this command (force fields are
-setup, atom masses are set, etc).
-
    
-
    Related commands:
-
    
-
    fix deform
-
    
-
    Default:
-
    
-
    The option defaults are remap = x and units = lattice.
-
    
-
diff --git a/doc/displace_box.txt b/doc/displace_box.txt
deleted file mode 100644
index 263c53d0ae..0000000000
--- a/doc/displace_box.txt
+++ /dev/null
@@ -1,181 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Section_commands.html#comm)
-
-:line
-
-displace_box command :h3
-
-[Syntax:]
-
-displace_box group-ID parameter args ... keyword value ... :pre
-
-group-ID = ID of group of atoms to displace :ulb,l
-one or more parameter/arg pairs may be appended :l
-parameter = {x} or {y} or {z} or {xy} or {xz} or {yz}
-  {x}, {y}, {z} args = style value(s)
-    style = {final} or {delta} or {scale} or {volume}
-      {final} values = lo hi
-        lo hi = box boundaries at end of run (distance units)
-      {delta} values = dlo dhi
-        dlo dhi = change in box boundaries at end of run (distance units)
-      {scale} values = factor
-        factor = multiplicative factor for change in box length at end of run
-      {volume} value = none = adjust this dim to preserve volume of system
-  {xy}, {xz}, {yz} args = style value
-    style = {final} or {delta}
-      {final} value = tilt
-        tilt = tilt factor at end of run (distance units)
-      {delta} value = dtilt
-        dtilt = change in tilt factor at end of run (distance units) :pre
-
-zero or more keyword/value pairs may be appended :l
-keyword = {remap} or {units} :l
-  {remap} value = {x} or {none}
-    x = remap coords of atoms in group into deforming box
-    none = no remapping of coords
-  {units} value = {lattice} or {box}
-    lattice = distances are defined in lattice units
-    box = distances are defined in simulation box units :pre
-:ule
-
-[Examples:]
-
-displace_box all xy final -2.0 z final 0.0 5.0 units box
-displace_box all x scale 1.1 y volume z volume :pre
-
-[Description:]
-
-Change the volume and/or shape of the simulation box.  Orthogonal
-simulation boxes have 3 adjustable parameters (x,y,z).  Triclinic
-(non-orthogonal) simulation boxes have 6 adjustable parameters
-(x,y,z,xy,xz,yz).  Any or all of them can be adjusted independently
-and simultaneously by this command.  This fix can be used to expand or
-contract a box, or to apply a shear strain to a non-orthogonal box.
-
-Any parameter varied by this command must refer to a periodic
-dimension - see the "boundary"_boundary.html command.  For parameters
-"xy", "xz", and "yz" this means both affected dimensions must be
-periodic, e.g. x and y for "xy".  Dimensions not varied by this
-command can be periodic or non-periodic.
-
-The size and shape of the initial simulation box are specified by the
-"create_box"_create_box.html or "read_data"_read_data.html or
-"read_restart"_read_restart.html command used to setup the simulation,
-or they are the values from the end of the previous run.  The
-"create_box"_create_box.html, "read data"_read_data.html, and
-"read_restart"_read_restart.html commands also determine whether the
-simulation box is orthogonal or triclinic and their doc pages explain
-the meaning of the xy,xz,yz tilt factors.  If the displace_box command
-changes the xy,xz,yz tilt factors, then the simulation box must be
-triclinic, even if its initial tilt factors are 0.0.
-
-:line
-
-For the {x}, {y}, and {z} parameters, this is the meaning of their
-styles and values.
-
-For style {final}, the final lo and hi box boundaries of a dimension
-are specified.  The values can be in lattice or box distance units.
-See the discussion of the units keyword below.
-
-For style {delta}, plus or minus changes in the lo/hi box boundaries
-of a dimension are specified.  The values can be in lattice or box
-distance units.  See the discussion of the units keyword below.
-
-For style {scale}, a multiplicative factor to apply to the box length
-of a dimension is specified.  For example, if the initial box length
-is 10, and the factor is 1.1, then the final box length will be 11.  A
-factor less than 1.0 means compression.
-
-The {volume} style changes the specified dimension in such a way that
-the box volume remains constant while other box dimensions are changed
-explicitly via the styles discussed above.  For example, "x scale 1.1
-y scale 1.1 z volume" will shrink the z box length as the x,y box
-lengths increase, to keep the volume constant (product of x,y,z
-lengths).  If "x scale 1.1 z volume" is specified and parameter {y} is
-unspecified, then the z box length will shrink as x increases to keep
-the product of x,z lengths constant.  If "x scale 1.1 y volume z
-volume" is specified, then both the y,z box lengths will shrink as x
-increases to keep the volume constant (product of x,y,z lengths).  In
-this case, the y,z box lengths shrink so as to keep their relative
-aspect ratio constant.
-
-For solids or liquids, note that when one dimension of the box is
-expanded by this command, it may be physically undesirable to hold the
-other 2 box lengths constant (unspecified by this command) since that
-implies a density change.  Using the {volume} style for those 2
-dimensions to keep the box volume constant may make more physical
-sense, but may also not be correct for materials and potentials whose
-Poisson ratio is not 0.5.
-
-For the {scale} and {volume} styles, the box length is expanded or
-compressed around its mid point.
-
-:line
-
-For the {xy}, {xz}, and {yz} parameters, this is the meaning of their
-styles and values.  Note that changing the tilt factors of a triclinic
-box does not change its volume.
-
-For style {final}, the final tilt factor is specified.  The value
-can be in lattice or box distance units.  See the discussion of the
-units keyword below.
-
-For style {delta}, a plus or minus change in the tilt factor is
-specified.  The value can be in lattice or box distance units.  See
-the discussion of the units keyword below.
-
-All of these styles change the xy, xz, yz tilt factors.  In LAMMPS,
-tilt factors (xy,xz,yz) for triclinic boxes are always bounded by half
-the distance of the parallel box length.  For example, if xlo = 2 and
-xhi = 12, then the x box length is 10 and the xy tilt factor must be
-between -5 and 5.  Similarly, both xz and yz must be between
--(xhi-xlo)/2 and +(yhi-ylo)/2.  Note that this is not a limitation,
-since if the maximum tilt factor is 5 (as in this example), then
-configurations with tilt = ..., -15, -5, 5, 15, 25, ... are all
-equivalent.  Any tilt factor specified by this command must be within
-these limits.
-
-:line
-
-The {remap} keyword determines whether atom positions are re-mapped to
-the new box.  If {remap} is set to {x} (the default), atoms in the fix
-group are re-mapped; otherwise they are not.  If {remap} is set to
-{none}, then this remapping does not take place.
-
-The {units} keyword determines the meaning of the distance units used
-to define various arguments.  A {box} value selects standard distance
-units as defined by the "units"_units.html command, e.g. Angstroms for
-units = real or metal.  A {lattice} value means the distance units are
-in lattice spacings.  The "lattice"_lattice.html command must have
-been previously used to define the lattice spacing.
-
-:line
-
-The simulation box size or shape can be changed by arbitrarily large
-amounts by this command.  This is not a problem, except that the
-mapping of processors to the simulation box is not changed by this
-command from its initial 3d configuration; see the
-"processors"_processors.html command.  Thus, if the box size or shape
-changes dramatically, the simulation may not be as well load-balanced
-(atoms per processor) as the initial mapping tried to achieve.
-
-[Restrictions:]
-
-Any box dimension varied by this fix must be periodic.
-
-This command requires inter-processor communication to migrate atoms
-once they have moved.  This means that your system must be ready to
-perform a simulation before using this command (force fields are
-setup, atom masses are set, etc).
-
-[Related commands:]
-
-"fix deform"_fix_deform.html
-
-[Default:]
-
-The option defaults are remap = x and units = lattice.
diff --git a/doc/fix_deform.html b/doc/fix_deform.html
index 76b723d59c..6be57e95ca 100644
--- a/doc/fix_deform.html
+++ b/doc/fix_deform.html
@@ -533,7 +533,7 @@ xy) that is shrink-wrapped via the boundary comamn
 
    
 
    Related commands:
 
    
-
    displace_box
+
    change_box
 
    
 
    Default:
 
    
diff --git a/doc/fix_deform.txt b/doc/fix_deform.txt
index 51baaea5a9..5a3a2ae584 100644
--- a/doc/fix_deform.txt
+++ b/doc/fix_deform.txt
@@ -523,7 +523,7 @@ xy) that is shrink-wrapped via the "boundary"_boundary.html comamnd.
 
 [Related commands:]
 
-"displace_box"_displace_box.html
+"change_box"_change_box.html
 
 [Default:]