Commit 2966085b authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1767 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent fdc43ed4

src/CLASS2/angle_class2.cpp

+2 −2
Original line number Diff line number Diff line
@@ -154,7 +154,7 @@ void AngleClass2::compute(int eflag, int vflag) 
    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 @@ void AngleClass2::compute(int eflag, int vflag) 
    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;

src/compute_temp_sphere.cpp

+3 −0
Original line number Diff line number Diff line
@@ -37,6 +37,9 @@ ComputeTempSphere::ComputeTempSphere(LAMMPS *lmp, int narg, char **arg) : 
  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;

CRA Git | Maintained and supported by SUSTech CRA and CCSE