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34 * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
40 typedef struct pme_switch *pme_switch_t;
42 /* Initialze the PME grid tuning data and infrastructure */
43 void switch_pme_init(pme_switch_t *pmes_p,
44 const t_inputrec *ir,matrix box,
45 const interaction_const_t *ic,
48 /* Adjust the PME grid and Coulomb cut-off.
49 * Returns TRUE the tuning continues, FALSE is the tuning is done.
51 gmx_bool switch_pme(pme_switch_t pmes,
58 interaction_const_t *ic,
59 nonbonded_verlet_t *nbv,
63 /* Restart the PME tuning, discarding all timings gathered up till now */
64 void restart_switch_pme(pme_switch_t pmes, int n);
66 #endif /* _pme_switch_h */