git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10593 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -15,7 +15,7 @@
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</P>
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</P>
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<P>print string keyword value:pre
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<P>print string keyword value:pre
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</P>
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</P>
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<LI>string = text string to print, which may contain variables
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<UL><LI>string = text string to print, which may contain variables
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<LI>zero or more keyword/value pairs may be appended
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<LI>zero or more keyword/value pairs may be appended
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@ -37,19 +37,18 @@ print 'The system volume is now $v'
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<P><B>Description:</B>
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<P><B>Description:</B>
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</P>
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</P>
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<P>Print a text string to the screen and logfile. One line of output is
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<P>Print a text string to the screen and logfile. One line of output is
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generated. The text string must be a single argument, so
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generated. The text string must be a single argument, so it should be
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it should be enclosed in double quotes if it is more than one word.
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enclosed in double quotes if it is more than one word. If it contains
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If it contains variables, they will be evaluated and
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variables, they will be evaluated and their current values printed.
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their current values printed.
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</P>
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</P>
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<P>If the <I>file</I> or <I>append</I> keyword is used, a filename is specified to
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<P>If the <I>file</I> or <I>append</I> keyword is used, a filename is specified to
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which the output will be written. If <I>file</I> is
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which the output will be written. If <I>file</I> is used, then the
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used, then the filename is overwritten if it already exists. If
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filename is overwritten if it already exists. If <I>append</I> is used,
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<I>append</I> is used, then the filename is appended to if it already
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then the filename is appended to if it already exists, or created if
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exists, or created if it does not exist.
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it does not exist.
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</P>
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</P>
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<P>If the <I>screen</I> keyword is used, output to the screen and
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<P>If the <I>screen</I> keyword is used, output to the screen and logfile can
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logfile can be turned on or off as desired.
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be turned on or off as desired.
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</P>
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</P>
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<P>If you want the print command to be executed multiple times (with
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<P>If you want the print command to be executed multiple times (with
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changing variable values), there are 3 options. First, consider using
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changing variable values), there are 3 options. First, consider using
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@ -76,6 +75,6 @@ thermodynamic properties, global values calculated by a
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</P>
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</P>
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<P><B>Default:</B>
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<P><B>Default:</B>
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</P>
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</P>
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<P>The option defaults are no file output, and screen = yes.
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<P>The option defaults are no file output and screen = yes.
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</P>
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</P>
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</HTML>
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</HTML>
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@ -12,7 +12,7 @@ print command :h3
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print string keyword value:pre
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print string keyword value:pre
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string = text string to print, which may contain variables :l
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string = text string to print, which may contain variables :ulb,l
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zero or more keyword/value pairs may be appended :l
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zero or more keyword/value pairs may be appended :l
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keyword = {file} or {append} or {screen} :l
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keyword = {file} or {append} or {screen} :l
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{file} value = filename
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{file} value = filename
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@ -30,19 +30,18 @@ print 'The system volume is now $v' :pre
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[Description:]
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[Description:]
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Print a text string to the screen and logfile. One line of output is
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Print a text string to the screen and logfile. One line of output is
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generated. The text string must be a single argument, so
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generated. The text string must be a single argument, so it should be
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it should be enclosed in double quotes if it is more than one word.
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enclosed in double quotes if it is more than one word. If it contains
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If it contains variables, they will be evaluated and
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variables, they will be evaluated and their current values printed.
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their current values printed.
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If the {file} or {append} keyword is used, a filename is specified to
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If the {file} or {append} keyword is used, a filename is specified to
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which the output will be written. If {file} is
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which the output will be written. If {file} is used, then the
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used, then the filename is overwritten if it already exists. If
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filename is overwritten if it already exists. If {append} is used,
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{append} is used, then the filename is appended to if it already
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then the filename is appended to if it already exists, or created if
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exists, or created if it does not exist.
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it does not exist.
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If the {screen} keyword is used, output to the screen and
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If the {screen} keyword is used, output to the screen and logfile can
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logfile can be turned on or off as desired.
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be turned on or off as desired.
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If you want the print command to be executed multiple times (with
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If you want the print command to be executed multiple times (with
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changing variable values), there are 3 options. First, consider using
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changing variable values), there are 3 options. First, consider using
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@ -69,5 +68,5 @@ thermodynamic properties, global values calculated by a
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[Default:]
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[Default:]
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The option defaults are no file output, and screen = yes.
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The option defaults are no file output and screen = yes.
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@ -60,6 +60,7 @@
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elong = long-range kspace energy
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elong = long-range kspace energy
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etail = VanderWaal energy long-range tail correction
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etail = VanderWaal energy long-range tail correction
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vol = volume
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vol = volume
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density = mass density of system
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lx,ly,lz = box lengths in x,y,z
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lx,ly,lz = box lengths in x,y,z
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xlo,xhi,ylo,yhi,zlo,zhi = box boundaries
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xlo,xhi,ylo,yhi,zlo,zhi = box boundaries
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xy,xz,yz = box tilt for triclinic (non-orthogonal) simulation boxes
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xy,xz,yz = box tilt for triclinic (non-orthogonal) simulation boxes
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@ -69,7 +70,6 @@
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fnorm = length of force vector for all atoms
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fnorm = length of force vector for all atoms
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cella,cellb,cellc = periodic cell lattice constants a,b,c
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cella,cellb,cellc = periodic cell lattice constants a,b,c
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cellalpha, cellbeta, cellgamma = periodic cell angles alpha,beta,gamma
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cellalpha, cellbeta, cellgamma = periodic cell angles alpha,beta,gamma
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density = mass density of system
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c_ID = global scalar value calculated by a compute with ID
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c_ID = global scalar value calculated by a compute with ID
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c_ID[I] = Ith component of global vector calculated by a compute with ID
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c_ID[I] = Ith component of global vector calculated by a compute with ID
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c_ID[I][J] = I,J component of global array calculated by a compute with ID
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c_ID[I][J] = I,J component of global array calculated by a compute with ID
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@ -252,9 +252,6 @@ description of triclinic periodic cells, including a precise defintion
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of these quantities in terms of the internal LAMMPS cell dimensions
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of these quantities in terms of the internal LAMMPS cell dimensions
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<I>lx</I>, <I>ly</I>, <I>lz</I>, <I>yz</I>, <I>xz</I>, <I>xy</I>.
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<I>lx</I>, <I>ly</I>, <I>lz</I>, <I>yz</I>, <I>xz</I>, <I>xy</I>.
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</P>
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</P>
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<P>The keyword <I>density</I> gives the mass density of the system in density
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<A HREF = "units.html">units</A>.
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</P>
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<HR>
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<HR>
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<P>The <I>c_ID</I> and <I>c_ID[I]</I> and <I>c_ID[I][J]</I> keywords allow global
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<P>The <I>c_ID</I> and <I>c_ID[I]</I> and <I>c_ID[I][J]</I> keywords allow global
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@ -55,6 +55,7 @@ args = list of arguments for a particular style :l
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elong = long-range kspace energy
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elong = long-range kspace energy
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etail = VanderWaal energy long-range tail correction
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etail = VanderWaal energy long-range tail correction
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vol = volume
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vol = volume
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density = mass density of system
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lx,ly,lz = box lengths in x,y,z
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lx,ly,lz = box lengths in x,y,z
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xlo,xhi,ylo,yhi,zlo,zhi = box boundaries
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xlo,xhi,ylo,yhi,zlo,zhi = box boundaries
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xy,xz,yz = box tilt for triclinic (non-orthogonal) simulation boxes
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xy,xz,yz = box tilt for triclinic (non-orthogonal) simulation boxes
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@ -64,7 +65,6 @@ args = list of arguments for a particular style :l
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fnorm = length of force vector for all atoms
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fnorm = length of force vector for all atoms
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cella,cellb,cellc = periodic cell lattice constants a,b,c
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cella,cellb,cellc = periodic cell lattice constants a,b,c
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cellalpha, cellbeta, cellgamma = periodic cell angles alpha,beta,gamma
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cellalpha, cellbeta, cellgamma = periodic cell angles alpha,beta,gamma
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density = mass density of system
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c_ID = global scalar value calculated by a compute with ID
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c_ID = global scalar value calculated by a compute with ID
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c_ID\[I\] = Ith component of global vector calculated by a compute with ID
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c_ID\[I\] = Ith component of global vector calculated by a compute with ID
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c_ID\[I\]\[J\] = I,J component of global array calculated by a compute with ID
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c_ID\[I\]\[J\] = I,J component of global array calculated by a compute with ID
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@ -246,9 +246,6 @@ description of triclinic periodic cells, including a precise defintion
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of these quantities in terms of the internal LAMMPS cell dimensions
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of these quantities in terms of the internal LAMMPS cell dimensions
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{lx}, {ly}, {lz}, {yz}, {xz}, {xy}.
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{lx}, {ly}, {lz}, {yz}, {xz}, {xy}.
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The keyword {density} gives the mass density of the system in density
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"units"_units.html.
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:line
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:line
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The {c_ID} and {c_ID\[I\]} and {c_ID\[I\]\[J\]} keywords allow global
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The {c_ID} and {c_ID\[I\]} and {c_ID\[I\]\[J\]} keywords allow global
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