diff --git a/src/EXTRA-COMPUTE/compute_stress_mop.cpp b/src/EXTRA-COMPUTE/compute_stress_mop.cpp index 139c5b5903..ff7c6d9e1b 100644 --- a/src/EXTRA-COMPUTE/compute_stress_mop.cpp +++ b/src/EXTRA-COMPUTE/compute_stress_mop.cpp @@ -705,14 +705,14 @@ void ComputeStressMop::compute_angles() if (right_cross && left_cross) { // due to right bond - dcos_theta[0] = -(dx_right[0]*cos_theta/r2 - dx_left[0]/r1)/r2; - dcos_theta[1] = -(dx_right[1]*cos_theta/r2 - dx_left[1]/r1)/r2; - dcos_theta[2] = -(dx_right[1]*cos_theta/r2 - dx_left[2]/r1)/r2; + dcos_theta[0] = (dx_right[0]*cos_theta/r2 - dx_left[0]/r1)/r2; + dcos_theta[1] = (dx_right[1]*cos_theta/r2 - dx_left[1]/r1)/r2; + dcos_theta[2] = (dx_right[1]*cos_theta/r2 - dx_left[2]/r1)/r2; // due to left bond - dcos_theta[0] += (dx_left[0]*cos_theta/r1 - dx_right[0]/r2)/r1; - dcos_theta[1] += (dx_left[1]*cos_theta/r1 - dx_right[1]/r2)/r1; - dcos_theta[2] += (dx_left[2]*cos_theta/r1 - dx_right[2]/r2)/r1; + dcos_theta[0] -= (dx_left[0]*cos_theta/r1 - dx_right[0]/r2)/r1; + dcos_theta[1] -= (dx_left[1]*cos_theta/r1 - dx_right[1]/r2)/r1; + dcos_theta[2] -= (dx_left[2]*cos_theta/r1 - dx_right[2]/r2)/r1; } // final contribution of the given angle term