C++ (Cpp) correct_box Examples

Example #1

File: typedefs.c Project: aar2163/GROMACS

void set_box_rel(t_inputrec *ir,t_state *state)
{
  /* Make sure the box obeys the restrictions before we fix the ratios */
  correct_box(NULL,0,state->box,NULL);

  clear_mat(state->box_rel);

  if (PRESERVE_SHAPE(*ir))
    do_box_rel(ir,state->box_rel,state->box,TRUE);
}

Example #2

File: boxutilities.cpp Project: MelroLeandro/gromacs

void set_box_rel(t_inputrec *ir, t_state *state)
{
    /* Make sure the box obeys the restrictions before we fix the ratios */
    correct_box(NULL, 0, state->box, NULL);

    clear_mat(state->box_rel);

    if (inputrecPreserveShape(ir))
    {
        do_box_rel(ir, state->box_rel, state->box, TRUE);
    }
}