diff --git a/gromacs/main-stub.c b/gromacs/main-stub.c index 0d95102..3b018fe 100644 --- a/gromacs/main-stub.c +++ b/gromacs/main-stub.c @@ -49,6 +49,7 @@ void init(Parameter *param) { param->cutforce = 1000000.0; param->cutneigh = param->cutforce; param->mass = 1.0; + param->half_neigh = 0; // Unused param->dt = 0.005; param->dtforce = 0.5 * param->dt; diff --git a/lammps/main-stub.c b/lammps/main-stub.c index 18b6a03..0fd6c1f 100644 --- a/lammps/main-stub.c +++ b/lammps/main-stub.c @@ -48,6 +48,7 @@ void init(Parameter *param) { param->cutforce = 1000000.0; param->cutneigh = param->cutforce; param->mass = 1.0; + param->half_neigh = 0; // Unused param->dt = 0.005; param->dtforce = 0.5 * param->dt;