Restrictions: none
diff -Naur lammps-16Apr08/doc/communicate.txt lammps-21Apr08/doc/communicate.txt --- lammps-16Apr08/doc/communicate.txt 2008-02-15 12:09:18.000000000 -0700 +++ lammps-21Apr08/doc/communicate.txt 2008-04-18 17:58:41.000000000 -0600 @@ -48,7 +48,7 @@ for some kinds of particles. All atoms (not just those in the specified group) will still migrate to new processors as they move. The group specified with this option must also be specified via the -"atom_modify first" command. +"atom_modify first"_atom_modify.html command. [Restrictions:] none diff -Naur lammps-16Apr08/doc/neigh_modify.html lammps-21Apr08/doc/neigh_modify.html --- lammps-16Apr08/doc/neigh_modify.html 2008-02-29 18:13:20.000000000 -0700 +++ lammps-21Apr08/doc/neigh_modify.html 2008-04-18 17:58:41.000000000 -0600 @@ -77,7 +77,7 @@ large portion of the simulation is particles that do not interact with other particles or with each other via pairwise interactions. The group specified with this option must also be specified via the -"atom_modify first" command. +atom_modify first command.The exclude option turns off pairwise interactions between certain pairs of atoms, by not including them in the neighbor list. These are diff -Naur lammps-16Apr08/doc/neigh_modify.txt lammps-21Apr08/doc/neigh_modify.txt --- lammps-16Apr08/doc/neigh_modify.txt 2008-02-29 18:13:20.000000000 -0700 +++ lammps-21Apr08/doc/neigh_modify.txt 2008-04-18 17:58:41.000000000 -0600 @@ -71,7 +71,7 @@ large portion of the simulation is particles that do not interact with other particles or with each other via pairwise interactions. The group specified with this option must also be specified via the -"atom_modify first" command. +"atom_modify first"_atom_modify.html command. The {exclude} option turns off pairwise interactions between certain pairs of atoms, by not including them in the neighbor list. These are diff -Naur lammps-16Apr08/src/CLASS2/angle_class2.cpp lammps-21Apr08/src/CLASS2/angle_class2.cpp --- lammps-16Apr08/src/CLASS2/angle_class2.cpp 2007-11-30 14:54:30.000000000 -0700 +++ lammps-21Apr08/src/CLASS2/angle_class2.cpp 2008-04-21 18:37:22.000000000 -0600 @@ -154,7 +154,7 @@ tk2 = bb_k[type] * dr2; f1[0] -= delx1*tk2/r1; - f1[2] -= dely1*tk2/r1; + f1[1] -= dely1*tk2/r1; f1[2] -= delz1*tk2/r1; f3[0] -= delx2*tk1/r2; @@ -194,7 +194,7 @@ b2 = ba_k2[type] * dtheta / r2; f1[0] -= vx11 + b1*delx1 + vx12; - f1[2] -= vy11 + b1*dely1 + vy12; + f1[1] -= vy11 + b1*dely1 + vy12; f1[2] -= vz11 + b1*delz1 + vz12; f3[0] -= vx21 + b2*delx2 + vx22; diff -Naur lammps-16Apr08/src/compute_temp_sphere.cpp lammps-21Apr08/src/compute_temp_sphere.cpp --- lammps-16Apr08/src/compute_temp_sphere.cpp 2008-03-20 18:34:03.000000000 -0600 +++ lammps-21Apr08/src/compute_temp_sphere.cpp 2008-04-21 18:37:22.000000000 -0600 @@ -37,6 +37,9 @@ if (narg != 3 && narg != 4) error->all("Illegal compute temp/sphere command"); + if (!atom->omega_flag) + error->all("Compute temp/sphere requires atom attribute omega"); + scalar_flag = vector_flag = 1; size_vector = 6; extscalar = 0; diff -Naur lammps-16Apr08/src/min_cg.cpp lammps-21Apr08/src/min_cg.cpp --- lammps-16Apr08/src/min_cg.cpp 2008-04-15 15:43:15.000000000 -0600 +++ lammps-21Apr08/src/min_cg.cpp 2008-04-16 18:06:14.000000000 -0600 @@ -276,10 +276,9 @@ { int i,fail,ntimestep; double beta,gg,dot[2],dotall[2]; - double *f; - f = atom->f[0]; - for (int i = 0; i < ndof; i++) h[i] = g[i] = f[i]; + double *f = atom->f[0]; + for (i = 0; i < ndof; i++) h[i] = g[i] = f[i]; dot[0] = 0.0; for (i = 0; i < ndof; i++) dot[0] += f[i]*f[i]; diff -Naur lammps-16Apr08/src/min_sd.cpp lammps-21Apr08/src/min_sd.cpp --- lammps-16Apr08/src/min_sd.cpp 2008-04-15 15:43:15.000000000 -0600 +++ lammps-21Apr08/src/min_sd.cpp 2008-04-16 18:06:14.000000000 -0600 @@ -37,10 +37,9 @@ { int i,fail,ntimestep; double dot,dotall; - double *f; - f = atom->f[0]; - for (int i = 0; i < ndof; i++) h[i] = f[i]; + double *f = atom->f[0]; + for (i = 0; i < ndof; i++) h[i] = f[i]; neval = 0;