diff --git a/doc/set.html b/doc/set.html index 74e91d16a8..921dce795d 100644 --- a/doc/set.html +++ b/doc/set.html @@ -96,6 +96,7 @@ set group edge bond 4 set region half charge 0.5 set type 3 charge 0.5 set type 1*3 charge 0.5 +set atom * charge v_atomfile set atom 100*200 x 0.5 y 1.0 set atom 1492 type 3 diff --git a/doc/set.txt b/doc/set.txt index d901880fb6..72fefc932c 100644 --- a/doc/set.txt +++ b/doc/set.txt @@ -92,6 +92,7 @@ set group edge bond 4 set region half charge 0.5 set type 3 charge 0.5 set type 1*3 charge 0.5 +set atom * charge v_atomfile set atom 100*200 x 0.5 y 1.0 set atom 1492 type 3 :pre diff --git a/doc/variable.html b/doc/variable.html index e848d8ab0a..51daea0bf2 100644 --- a/doc/variable.html +++ b/doc/variable.html @@ -66,8 +66,8 @@ 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] - atom vector = id, mass, type, mol, x, y, z, vx, vy, vz, fx, fy, fz + 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] @@ -373,8 +373,8 @@ references to other variables. 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), torque(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), torque(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR) Special functions sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x) -Atom values 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] -Atom vectors id, mass, type, mol, x, y, z, vx, vy, vz, fx, fy, fz +Atom values 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 vectors 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] Other variables v_name, v_name[i] diff --git a/doc/variable.txt b/doc/variable.txt index e461d08e59..e9362de392 100644 --- a/doc/variable.txt +++ b/doc/variable.txt @@ -61,8 +61,8 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st 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\[i\] - atom vector = id, mass, type, mol, x, y, z, vx, vy, vz, fx, fy, fz + 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 @@ -374,8 +374,8 @@ Region functions: count(ID,IDR), mass(ID,IDR), charge(ID,IDR), \ inertia(ID,dimdim,IDR), omega(ID,dim,IDR) Special functions: sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x) Atom values: 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\[i\] -Atom vectors: id, mass, type, mol, x, y, z, vx, vy, vz, fx, fy, fz + vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\], q\[i\] +Atom vectors: 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\[i\]\[j\] Other variables: v_name, v_name\[i\] :tb(s=:)