int gmx_pme_init(gmx_pme_t *pmedata,t_commrec *cr,
int nnodes_major,int nnodes_minor,
t_inputrec *ir,int homenr,
- bool bFreeEnergy, bool bReproducible);
+ gmx_bool bFreeEnergy, gmx_bool bReproducible);
int gmx_pme_destroy(FILE *log,gmx_pme_t *pmedata);
/* Initialize and destroy the pme data structures resepectively.
int gmx_pmeonly(gmx_pme_t pme,
t_commrec *cr, t_nrnb *mynrnb,
gmx_wallcycle_t wcycle,
- real ewaldcoeff, bool bGatherOnly,
+ real ewaldcoeff, gmx_bool bGatherOnly,
t_inputrec *ir);
/* Called on the nodes that do PME exclusively (as slaves)
*/
/* Initialize the PME-only side of the PME <-> PP communication */
void gmx_pme_send_q(t_commrec *cr,
- bool bFreeEnergy, real *chargeA, real *chargeB,
+ gmx_bool bFreeEnergy, real *chargeA, real *chargeB,
int maxshift_x, int maxshift_y);
/* Send the charges and maxshift to out PME-only node. */
void gmx_pme_send_x(t_commrec *cr, matrix box, rvec *x,
- bool bFreeEnergy, real lambda,
- bool bEnerVir,
+ gmx_bool bFreeEnergy, real lambda,
+ gmx_bool bEnerVir,
gmx_large_int_t step);
/* Send the coordinates to our PME-only node and request a PME calculation */
real **chargeA, real **chargeB,
matrix box, rvec **x,rvec **f,
int *maxshift_x,int *maxshift_y,
- bool *bFreeEnergy,real *lambda,
- bool *bEnerVir,
+ gmx_bool *bFreeEnergy,real *lambda,
+ gmx_bool *bEnerVir,
gmx_large_int_t *step);
/* Receive charges and/or coordinates from the PP-only nodes.
* Returns the number of atoms, or -1 when the run is finished.