diff --git a/doc/variable.html b/doc/variable.html index d0e4c262b3..d45e260982 100644 --- a/doc/variable.html +++ b/doc/variable.html @@ -36,10 +36,12 @@ ceil(x), floor(x), round(x) group functions = count(group), mass(group), charge(group), xcm(group,dim), vcm(group,dim), fcm(group,dim), - bound(group,xmin), gyration(group), ke(group) + bound(group,xmin), gyration(group), ke(group), + angmom(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,xmin,region), gyration(group,region), ke(group,reigon) + bound(group,xmin,region), gyration(group,region), ke(group,reigon), + angmom(group,dim,region) 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] @@ -252,8 +254,8 @@ references to other variables. Thermo keywords vol, pe, ebond, etc Math operators (), -x, x+y, x-y, x*y, x/y, x^y, x==y, x!=y, xy, x>=y, x&&y, x||y Math functions sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), ceil(x), floor(x), round(x) -Group functions count(ID), mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID), ke(ID) -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) +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) +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) 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] @@ -332,7 +334,9 @@ of the group. Fcm() returns a component of the total force on the group of atoms. Bound() returns the min/max of a particular coordinate for all atoms in the group. Gyration() computes the radius-of-gyration of the group of atoms. See the compute -gyration command for a definition of the formula. +gyration command for a definition of the +formula. Angmom() returns components of the angular momentum of the +group of atoms around its center of mass.

Region functions are exactly the same as group functions except they take an extra argument which is the region ID. The function is diff --git a/doc/variable.txt b/doc/variable.txt index 92bc74fdad..8505d06fb1 100644 --- a/doc/variable.txt +++ b/doc/variable.txt @@ -31,10 +31,12 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st ceil(x), floor(x), round(x) group functions = count(group), mass(group), charge(group), xcm(group,dim), vcm(group,dim), fcm(group,dim), - bound(group,xmin), gyration(group), ke(group) + bound(group,xmin), gyration(group), ke(group), + angmom(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,xmin,region), gyration(group,region), ke(group,reigon) + bound(group,xmin,region), gyration(group,region), ke(group,reigon), + angmom(group,dim,region) 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\[i\]\[j\] @@ -246,9 +248,12 @@ Thermo keywords: vol, pe, ebond, etc Math operators: (), -x, x+y, x-y, x*y, x/y, x^y, x==y, x!=y, xy, x>=y, x&&y, x||y Math functions: sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), ceil(x), floor(x), round(x) Group functions: count(ID), mass(ID), charge(ID), xcm(ID,dim), \ - vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID), ke(ID) -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) + vcm(ID,dim), fcm(ID,dim), bound(ID,dir), \ + gyration(ID), ke(ID), angmom(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) 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 @@ -327,7 +332,9 @@ of the group. Fcm() returns a component of the total force on the group of atoms. Bound() returns the min/max of a particular coordinate for all atoms in the group. Gyration() computes the radius-of-gyration of the group of atoms. See the "compute -gyration"_compute_gyration.html command for a definition of the formula. +gyration"_compute_gyration.html command for a definition of the +formula. Angmom() returns components of the angular momentum of the +group of atoms around its center of mass. Region functions are exactly the same as group functions except they take an extra argument which is the region ID. The function is