git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13806 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
2015-07-30 16:49:30 +00:00
parent 311649293d
commit 3159a0ca45
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</ul>
<pre class="literal-block">
<em>delete</em> = no args
<em>index</em> args = one or more strings
<em>loop</em> args = N
N = integer size of loop, loop from 1 to N inclusive
<em>loop</em> args = N pad
N = integer size of loop, loop from 1 to N inclusive
pad = all values will be same length, e.g. 001, 002, ..., 100
<em>loop</em> args = N1 N2
N1,N2 = loop from N1 to N2 inclusive
<em>loop</em> args = N1 N2 pad
N1,N2 = loop from N1 to N2 inclusive
pad = all values will be same length, e.g. 050, 051, ..., 100
<em>world</em> args = one string for each partition of processors
<em>universe</em> args = one or more strings
<em>uloop</em> args = N
N = integer size of loop
<em>uloop</em> args = N pad
N = integer size of loop
pad = all values will be same length, e.g. 001, 002, ..., 100
<em>string</em> arg = one string
<em>format</em> args = vname fstr
vname = name of equal-style variable to evaluate
fstr = C-style format string
<em>getenv</em> arg = one string
<em>file</em> arg = filename
<em>atomfile</em> arg = filename
<em>python</em> arg = function
<em>equal</em> or <em>atom</em> args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
numbers = 0.0, 100, -5.4, 2.8e-4, etc
constants = PI
thermo keywords = vol, ke, press, etc from <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a>
math operators = (), -x, x+y, x-y, x*y, x/y, x^y, x%y,
x == y, x != y, x &amp;lt y, x &amp;lt= y, x &amp;gt y, x &amp;gt= y, x &amp;&amp; y, x || y, !x
math functions = sqrt(x), exp(x), ln(x), log(x), abs(x),
sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x)
ramp(x,y), stagger(x,y), logfreq(x,y,z), logfreq2(x,y,z),
stride(x,y,z), stride2(x,y,z,a,b,c),
vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)
group functions = count(group), mass(group), charge(group),
xcm(group,dim), vcm(group,dim), fcm(group,dim),
bound(group,dir), gyration(group), ke(group),
angmom(group,dim), torque(group,dim),
inertia(group,dimdim), omega(group,dim)
region functions = count(group,region), mass(group,region), charge(group,region),
xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
bound(group,dir,region), gyration(group,region), ke(group,reigon),
angmom(group,dim,region), torque(group,dim,region),
inertia(group,dimdim,region), omega(group,dim,region)
special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x)
atom value = id[i], mass[i], type[i], mol[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i], q[i]
atom vector = id, mass, type, mol, x, y, z, vx, vy, vz, fx, fy, fz, q
compute references = c_ID, c_ID[i], c_ID[i][j]
fix references = f_ID, f_ID[i], f_ID[i][j]
variable references = v_name, v_name[i]
<em>index</em> args = one or more strings
<em>loop</em> args = N
N = integer size of loop, loop from 1 to N inclusive
<em>loop</em> args = N pad
N = integer size of loop, loop from 1 to N inclusive
pad = all values will be same length, e.g. 001, 002, ..., 100
<em>loop</em> args = N1 N2
N1,N2 = loop from N1 to N2 inclusive
<em>loop</em> args = N1 N2 pad
N1,N2 = loop from N1 to N2 inclusive
pad = all values will be same length, e.g. 050, 051, ..., 100
<em>world</em> args = one string for each partition of processors
<em>universe</em> args = one or more strings
<em>uloop</em> args = N
N = integer size of loop
<em>uloop</em> args = N pad
N = integer size of loop
pad = all values will be same length, e.g. 001, 002, ..., 100
<em>string</em> arg = one string
<em>format</em> args = vname fstr
vname = name of equal-style variable to evaluate
fstr = C-style format string
<em>getenv</em> arg = one string
<em>file</em> arg = filename
<em>atomfile</em> arg = filename
<em>python</em> arg = function
<em>equal</em> or <em>atom</em> args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
numbers = 0.0, 100, -5.4, 2.8e-4, etc
constants = PI
thermo keywords = vol, ke, press, etc from <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a>
math operators = (), -x, x+y, x-y, x*y, x/y, x^y, x%y,
x == y, x != y, x &amp;lt y, x &amp;lt= y, x &amp;gt y, x &amp;gt= y, x &amp;&amp; y, x || y, !x
math functions = sqrt(x), exp(x), ln(x), log(x), abs(x),
sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x)
ramp(x,y), stagger(x,y), logfreq(x,y,z), logfreq2(x,y,z),
stride(x,y,z), stride2(x,y,z,a,b,c),
vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)
group functions = count(group), mass(group), charge(group),
xcm(group,dim), vcm(group,dim), fcm(group,dim),
bound(group,dir), gyration(group), ke(group),
angmom(group,dim), torque(group,dim),
inertia(group,dimdim), omega(group,dim)
region functions = count(group,region), mass(group,region), charge(group,region),
xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
bound(group,dir,region), gyration(group,region), ke(group,reigon),
angmom(group,dim,region), torque(group,dim,region),
inertia(group,dimdim,region), omega(group,dim,region)
special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x)
atom value = id[i], mass[i], type[i], mol[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i], q[i]
atom vector = id, mass, type, mol, x, y, z, vx, vy, vz, fx, fy, fz, q
compute references = c_ID, c_ID[i], c_ID[i][j]
fix references = f_ID, f_ID[i], f_ID[i][j]
variable references = v_name, v_name[i]
</pre>
</div>
<div class="section" id="examples">