void apply_sph(fluid_sim* fsimp)
{
clear_particle_data(fsimp->lpg);
std::vector<interaction> interactions = collect_interactions(fsimp->lpg);
compute_densities(interactions, fsimp->lpg.step);
compute_pressures(fsimp->f);
apply_forces(interactions, fsimp->f);
}
real pull_potential(int ePull,t_pull *pull, t_mdatoms *md, t_pbc *pbc,
t_commrec *cr, double t, real lambda,
rvec *x, rvec *f, tensor vir, real *dvdlambda)
{
real V,dVdl;
pull_calc_coms(cr,pull,md,pbc,t,x,NULL);
do_pull_pot(ePull,pull,pbc,t,lambda,
&V,pull->bVirial && MASTER(cr) ? vir : NULL,&dVdl);
/* Distribute forces over pulled groups */
apply_forces(pull, md, DOMAINDECOMP(cr) ? cr->dd->ga2la : NULL, f);
if (MASTER(cr)) {
*dvdlambda += dVdl;
}
return (MASTER(cr) ? V : 0.0);
}
