C++ (Cpp) exchange_doubles Examples

Example #1

File: repl_ex.c Project: daniellandau/gromacs

static void exchange_state(const gmx_multisim_t *ms, int b, t_state *state)
{
    /* When t_state changes, this code should be updated. */
    int ngtc, nnhpres;
    ngtc    = state->ngtc * state->nhchainlength;
    nnhpres = state->nnhpres* state->nhchainlength;
    exchange_rvecs(ms, b, state->box, DIM);
    exchange_rvecs(ms, b, state->box_rel, DIM);
    exchange_rvecs(ms, b, state->boxv, DIM);
    exchange_reals(ms, b, &(state->veta), 1);
    exchange_reals(ms, b, &(state->vol0), 1);
    exchange_rvecs(ms, b, state->svir_prev, DIM);
    exchange_rvecs(ms, b, state->fvir_prev, DIM);
    exchange_rvecs(ms, b, state->pres_prev, DIM);
    exchange_doubles(ms, b, state->nosehoover_xi, ngtc);
    exchange_doubles(ms, b, state->nosehoover_vxi, ngtc);
    exchange_doubles(ms, b, state->nhpres_xi, nnhpres);
    exchange_doubles(ms, b, state->nhpres_vxi, nnhpres);
    exchange_doubles(ms, b, state->therm_integral, state->ngtc);
    exchange_rvecs(ms, b, state->x, state->natoms);
    exchange_rvecs(ms, b, state->v, state->natoms);
    exchange_rvecs(ms, b, state->sd_X, state->natoms);
}

Example #2

File: repl_ex.cpp Project: BingqingCheng/plumed2

/* PLUMED HREX */
void exchange_state(const gmx_multisim_t *ms, int b, t_state *state)
/* END PLUMED HREX */
{
    /* When t_state changes, this code should be updated. */
    int ngtc, nnhpres;
    ngtc    = state->ngtc * state->nhchainlength;
    nnhpres = state->nnhpres* state->nhchainlength;
    exchange_rvecs(ms, b, state->box, DIM);
    exchange_rvecs(ms, b, state->box_rel, DIM);
    exchange_rvecs(ms, b, state->boxv, DIM);
    exchange_reals(ms, b, &(state->veta), 1);
    exchange_reals(ms, b, &(state->vol0), 1);
    exchange_rvecs(ms, b, state->svir_prev, DIM);
    exchange_rvecs(ms, b, state->fvir_prev, DIM);
    exchange_rvecs(ms, b, state->pres_prev, DIM);
    exchange_doubles(ms, b, state->nosehoover_xi.data(), ngtc);
    exchange_doubles(ms, b, state->nosehoover_vxi.data(), ngtc);
    exchange_doubles(ms, b, state->nhpres_xi.data(), nnhpres);
    exchange_doubles(ms, b, state->nhpres_vxi.data(), nnhpres);
    exchange_doubles(ms, b, state->therm_integral.data(), state->ngtc);
    exchange_doubles(ms, b, &state->baros_integral, 1);
    exchange_rvecs(ms, b, as_rvec_array(state->x.data()), state->natoms);
    exchange_rvecs(ms, b, as_rvec_array(state->v.data()), state->natoms);
}