/* From flood.xproj compute the Vfl(x) at this point */
-static real flood_energy(t_edpar *edi, gmx_large_int_t step)
+static real flood_energy(t_edpar *edi, gmx_int64_t step)
{
/* compute flooding energy Vfl
Vfl = Efl * exp( - \frac {kT} {2Efl alpha^2} * sum_i { \lambda_i c_i^2 } )
rvec x[],
rvec force[],
t_edpar *edi,
- gmx_large_int_t step,
+ gmx_int64_t step,
matrix box,
t_commrec *cr,
gmx_bool bNS) /* Are we in a neighbor searching step? */
rvec force[], /* forcefield forces, to these the flooding forces are added */
gmx_edsam_t ed, /* ed data structure contains all ED and flooding groups */
matrix box, /* the box */
- gmx_large_int_t step, /* The relative time step since ir->init_step is already subtracted */
+ gmx_int64_t step, /* The relative time step since ir->init_step is already subtracted */
gmx_bool bNS) /* Are we in a neighbor searching step? */
{
t_edpar *edi;
}
-static void do_linfix(rvec *xcoll, t_edpar *edi, gmx_large_int_t step)
+static void do_linfix(rvec *xcoll, t_edpar *edi, gmx_int64_t step)
{
int i, j;
real proj, add;
}
-static void ed_apply_constraints(rvec *xcoll, t_edpar *edi, gmx_large_int_t step)
+static void ed_apply_constraints(rvec *xcoll, t_edpar *edi, gmx_int64_t step)
{
int i;
void do_edsam(t_inputrec *ir,
- gmx_large_int_t step,
+ gmx_int64_t step,
t_commrec *cr,
rvec xs[], /* The local current positions on this processor */
rvec v[], /* The velocities */