From 2fbdda55e0ecd4e45d828837ddd78bc682429b1c Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 13 Oct 2010 15:00:13 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5033 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/variable.html | 25 +++++++++++++++++++------ doc/variable.txt | 25 +++++++++++++++++++------ 2 files changed, 38 insertions(+), 12 deletions(-) diff --git a/doc/variable.html b/doc/variable.html index 4a96d4ec2f..05d4b9cb5e 100644 --- a/doc/variable.html +++ b/doc/variable.html @@ -57,7 +57,7 @@ xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region), bound(group,xmin,region), gyration(group,region), ke(group,reigon), angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region) - special functions = sum(x), min(x), max(x), ave(x), trap(x) + special functions = sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y) atom value = mass[i], type[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i] atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz compute references = c_ID, c_ID[i], c_ID[i][j] @@ -276,7 +276,7 @@ references to other variables. Math functions sqrt(x), exp(x), ln(x), log(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), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z) Group functions count(ID), mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID), ke(ID), angmom(ID,dim), inertia(ID,dimdim), omega(ID,dim) Region functions count(ID,IDR), mass(ID,IDR), charge(ID,IDR), xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), angmom(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR) -Special functions sum(x), min(x), max(x), ave(x), trap(x) +Special functions sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y) Atom values mass[i], type[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i] Atom vectors mass, type, x, y, z, vx, vy, vz, fx, fy, fz Compute references c_ID, c_ID[i], c_ID[i][j] @@ -499,10 +499,10 @@ produces a global array, then the notation with "[N]" should be used, when N is an integer, to specify which column of the global array is being referenced.

-

All of these functions operate on the global vector of inputs and -reduce it to a single scalar value. This is analagous to the -operation of the compute reduce command, which -invokes the same functions on per-atom and local vectors. +

These functions operate on the global vector of inputs and reduce it +to a single scalar value. This is analagous to the operation of the +compute reduce command, which invokes the same +functions on per-atom and local vectors.

The sum() function calculates the sum of all the vector elements. The min() and max() functions find the minimum and maximum element @@ -519,6 +519,19 @@ timestep size, this function is useful for calculating integrals of time-series data, like that generated by the fix ave/correlate command.

+

The gmask(x) function takes 1 argument which is a group ID. It +can only be used in atom-style variables. It returns a 1 for +atoms that are in the group, and a 0 for atoms that are not. +

+

The rmask(x) function takes 1 argument which is a region ID. It can +only be used in atom-style variables. It returns a 1 for atoms that +are in the geometric region, and a 0 for atoms that are not. +

+

The grmask(x,y) function takes 2 arguments. The first is a group ID, +and the second is a region ID. It can only be used in atom-style +variables. It returns a 1 for atoms that are in both the group and +region, and a 0 for atoms that are not in both. +

Atom Values and Vectors diff --git a/doc/variable.txt b/doc/variable.txt index bb5d9b7805..de31b92218 100644 --- a/doc/variable.txt +++ b/doc/variable.txt @@ -52,7 +52,7 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region), bound(group,xmin,region), gyration(group,region), ke(group,reigon), angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region) - special functions = sum(x), min(x), max(x), ave(x), trap(x) + special functions = sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y) atom value = mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\] atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz compute references = c_ID, c_ID\[i\], c_ID\[i\]\[j\] @@ -275,7 +275,7 @@ Region functions: count(ID,IDR), mass(ID,IDR), charge(ID,IDR), \ xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), \ bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), \ angmom(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR) -Special functions: sum(x), min(x), max(x), ave(x), trap(x) +Special functions: sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y) Atom values: mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], \ vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\] Atom vectors: mass, type, x, y, z, vx, vy, vz, fx, fy, fz @@ -498,10 +498,10 @@ produces a global array, then the notation with "\[N\]" should be used, when N is an integer, to specify which column of the global array is being referenced. -All of these functions operate on the global vector of inputs and -reduce it to a single scalar value. This is analagous to the -operation of the "compute reduce"_compute_reduce.html command, which -invokes the same functions on per-atom and local vectors. +These functions operate on the global vector of inputs and reduce it +to a single scalar value. This is analagous to the operation of the +"compute reduce"_compute_reduce.html command, which invokes the same +functions on per-atom and local vectors. The sum() function calculates the sum of all the vector elements. The min() and max() functions find the minimum and maximum element @@ -518,6 +518,19 @@ timestep size, this function is useful for calculating integrals of time-series data, like that generated by the "fix ave/correlate"_fix_ave_correlate.html command. +The gmask(x) function takes 1 argument which is a group ID. It +can only be used in atom-style variables. It returns a 1 for +atoms that are in the group, and a 0 for atoms that are not. + +The rmask(x) function takes 1 argument which is a region ID. It can +only be used in atom-style variables. It returns a 1 for atoms that +are in the geometric region, and a 0 for atoms that are not. + +The grmask(x,y) function takes 2 arguments. The first is a group ID, +and the second is a region ID. It can only be used in atom-style +variables. It returns a 1 for atoms that are in both the group and +region, and a 0 for atoms that are not in both. + :line Atom Values and Vectors :h4